155575-01-2 ((3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI))

结构式：

3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)MOL文件

CAS号：

155575-01-2

英文名称：

3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)

分子式：

C₄₄H₈₄NO₇P

分子量：

770.114035606384

3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)(155575-01-2)名称与标识符

名称

中文别名：

1-O-HEXADECYL-2-(8Z,11Z,14Z-EICOSATRIENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE;

英文别名：

3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI);1-O-hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine;1-O-Palmityl-2-(cis-8,11,14-eicosatrienoyl)-sn-glycero-3-phosphocholine;3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt;3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N...;Dihomo-γ-Linolenoyl PAF C-16;1-O-HEXADECYL-2-[CIS-8,11,14-EICO-SATRIENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE;C16-20:3 PC;VYKSGWCIVDQIQR-MEAIPJDCSA-N;l-α-phosphatidylcholine, β-(cis-8,11,14-eicosatrienoyl)-γ-o-hexadecyl;L-ALPHA-PHOSPHATIDYLCHOLINE, BETA-(CIS-8,11,14-EICOSATRIENOYL)-GAMMA-O-HEXADECYL;L-A-phosphatidylcholine,*B-(cis-8,11,14-eicosatri;L-A-PHOSPHATIDYLCHOLINE,*B-(CIS-8,11,14- EICOSATRIEN;LMGP01020053;1-O-Hexadecyl-2-O-dihomo-gamma-linolenoyl-sn-glycero-3-phosphorylcholine;NCGC00161381-01;1-hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine;PC(O-16:0/20:3);131907-73-8;PC(O-16:0/20:3(8Z,11Z,14Z));Dihomo-?-Linolenoyl PAF C-16;2-DHLA-PAF;[(2R)-3-hexadecoxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium, 7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, [R-(Z,Z,Z)]-;CS-0182771;HY-141631;1-hexadecyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine;PD020921;Q27159161;PC(o36:3);C16-20:3 PC, 1-O-hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine, powder;J-009207;Dihomo-;(2R)-3-(hexadecyloxy)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate;Dihomo- gamma -Linolenoyl PAF C-16;BML3-E11;A-Linolenoyl PAF C-16;155575-01-2;SCHEMBL15477526;C16-20:3 PC, 1-O-hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine, chloroform;CHEBI:86436;1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-phosphocholine;3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium, 7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7R,16Z,19Z,22Z)- (9CI);(R)-3-(Hexadecyloxy)-2-((8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate;

标识符

MDL：

MFCD00214359

InChIKey：

VYKSGWCIVDQIQR-MEAIPJDCSA-N

Inchi：

1S/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/b16-14-,22-20-,25-24-/t43-/m1/s1

SMILES：

P(=O)([O-])(OC[C@@H](COCCCCCCCCCCCCCCCC)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)OCC[N+](C)(C)C

3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)(155575-01-2)物化性质

实验特性

LogP : 13.04380
PSA : 103.93000

计算特性

精确分子量 : 769.59900
氢键供体数量 : 0
氢键受体数量 : 7
可旋转化学键数量 : 41
同位素质量 : 769.59854102g/mol
重原子数量 : 53
复杂度 : 938
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 : 3
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） : 13.7
拓扑分子极性表面积 : 94.1Å²

3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)(155575-01-2)安全信息

WGK Germany： 1
危险品运输编号： NONH for all modes of transport
储存条件： −20°C

3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)(155575-01-2)国际标准相关数据

EINECS：

24898126

3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)(155575-01-2)推荐厂家更多厂家(9)

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江苏永健医药科技有限公司	17701422016	韩经理	3587493084	询单
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3,5,8-Trioxa-4-phosphaoctacosa-16,19,22-trien-1-aminium,7-[(hexadecyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide,(7R,16Z,19Z,22Z)- (9CI)(155575-01-2)参考资料

Beilstein：

MFCD00214359

PubChem CID：