77286-66-9 (1-O-十八烷基-2-O-甲基-SN-甘油-3-磷酸,ET-18-OCH3)

CAS号:
77286-66-9
中文名称:
1-O-十八烷基-2-O-甲基-SN-甘油-3-磷酸
英文名称:
ET-18-OCH3
分子式:
C27H58NO6P
分子量:
523.726290225983

1-O-十八烷基-2-O-甲基-SN-甘油-3-磷酸(77286-66-9)名称与标识符

名称

中文别名:
2-O-甲基PAFC-18;1-O-十八烷基-2-O-甲基-sn-甘油-3-磷酸胆碱;依地福新;
英文别名:
3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, (7R)-;1-O-octadecyl-2-O-methyl-sn-glycero-3-phosphocholine;2-O-methyl PAF C-18;3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4...;Edelfosine;18:0-1:0 DIETHER PC;1-O-OCTADECYL-2-O-METHYL-RAC-GLYCERO-3-PHOSPHOCHOLINE;2-O-METHYL-1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE;ET-18-OCH3;iso-PPADS tetrasodium salt;L-A-PHOSPHATIDYLCHOLINE-B-O-METHYL-GAMM A-O-OCTADECYL;RAC-ET-18-OCH3;SN-ET-18-OCH3;[(2R)-2-methoxy-3-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;1-O-Octadecyl-2-O-methyl-sn-glyceryl-3-phosphorylcholine;BDBM86730;NCGC00093851-06;(2R)-2-methoxy-3-(octadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate;1-Octadecyl-2-methyl-sn-glycero-3-phosphocholine;Edelfosine, (R)-;SDCCGSBI-0050415.P002;SCHEMBL436257;3,5,9-Trioxa-4-phosphaheptacosan-1-aminium;NCGC00093851-01;Edelfosine;2-O-Methyl-PAF-C-18;PC(O-18:0/O-1:0);CCG-204522;NCGC00093851-02;(R)-2-Methoxy-3-(octadecyloxy)propyl(2-(trimethylammonio)ethyl)phosphate;HMS3648P18;UNII-LZ198HY9OE;MFCD00063527;ET-18-OCH - CAS 70641-51-9;(+)-(R)-ET-18-OMe;(+)-(R)-ET-18-OCH3;E 1779;HMS3402G03;77286-66-9;LZ198HY9OE;HMS1361G03;Tox21_500430;NCGC00093851-11;1-OCTADECYL-2-METHYLGLYCERO-3 PC;TLC-ELL-12;(R)-edelfosine;HB0278;1-Stearyl-2-methyl-sn-glycero-3-phosphocholine;1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphorylcholine;3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, (7R)-;HMS1989G03;HMS3261E22;NCGC00261115-01;C27H58NO6P;BML3-F02;NCGC00093851-03;Edelfosine, 1-O-octadecyl-2-O-methyl-sn-glycero-3-phosphocholine, chloroform;(+)-(R)-Edelfosine;3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-,inner salt,4-oxide;Edelfosine; 1-octadecyl-2-O-methyl-glycero-3-phosphocholine;(7R)-4-Hydroxy-7-methoxy-N,N,N-trimethyl-3,5,9-trioxa-4-phosphaheptacosan-1-aminium-4-oxide;AKOS024457387;HY-108610;Q27147892;NCGC00093851-05;HMS1791G03;EU-0100430;CHEMBL107514;LP00430;DTXSID20922896;NCGC00093851-04;CAS_77286-66-9;Edelfosine, 1-O-octadecyl-2-O-methyl-sn-glycero-3-phosphocholine, powder;MHFRGQHAERHWKZ-HHHXNRCGSA-N;(R)-2-Methoxy-3-(octadecyloxy)propyl (2-(trimethylammonio)ethyl) phosphate;CHEBI:78653;3,5,9-Trioxa-4-phosphaheptacosan-1-aminium,4-hydroxy-7-methoxy-N,N,N-trimethyl-,inner salt,4-oxide,(7R)-;3,5,9-Trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-7-methoxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)-;1-O-octadecyl-2-O-methyl-sn-glycero-3-phosphocholine hydrate;Edelfosine?;2-O-Methyl-PAF (C);G91037;

标识符

InChIKey:
MHFRGQHAERHWKZ-HHHXNRCGSA-N
Inchi:
1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/t27-/m1/s1
SMILES:
P(=O)([O-])(OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC)OCC[N+](C)(C)C

1-O-十八烷基-2-O-甲基-SN-甘油-3-磷酸(77286-66-9)物化性质

实验特性

  • LogP : 7.55750
  • PSA : 86.86000
  • 溶解度 : ethanol: 15 mg/mL at 45 °C, soluble
  • 浓度 : 5 mg/mL (999995C-5mg)
  • 颜色与性状 : 白色固体
  • 溶解性 : 可溶于水

计算特性

  • 精确分子量 : 523.40000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 27
  • 同位素质量 : 523.40017557g/mol
  • 重原子数量 : 35
  • 复杂度 : 492
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 7.6
  • 拓扑分子极性表面积 : 77Ų

1-O-十八烷基-2-O-甲基-SN-甘油-3-磷酸(77286-66-9)安全信息

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1-O-十八烷基-2-O-甲基-SN-甘油-3-磷酸(77286-66-9)相关文献

1-O-十八烷基-2-O-甲基-SN-甘油-3-磷酸(77286-66-9) MSDS

基础信息

Name:1-O-Octadecyl-2-O-Methyl-Sn-Glycero-3-Phosphocholine Material Safety Data Sheet
Synonym:Sn-ET-18-OCH3
CAS:77286-66-9
Section 1 - Chemical Product ? MSDS Name:1-O-Octadecyl-2-O-Methyl-Sn-Glycero-3-Phosphocholine Material Safety Data Sheet
Synonym:Sn-ET-18-OCH3

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
77286-66-91-O-Octadecyl-2-O-Methyl-SN-Glycero-3-unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Deep freeze (below -20C).

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 77286-66-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: almost white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C27H58NO6P
Molecular Weight: 523.3829

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 77286-66-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-O-Octadecyl-2-O-Methyl-SN-Glycero-3-Phosphocholine - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 77286-66-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 77286-66-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 77286-66-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A