53595-24-7 (1-棕榈酰-2-棕榈油酰基-Sn-甘油-3-磷酰胆碱,3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-, innersalt, 4-oxide, (7R)-)

CAS号:
53595-24-7
中文名称:
1-棕榈酰-2-棕榈油酰基-Sn-甘油-3-磷酰胆碱
英文名称:
3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-, innersalt, 4-oxide, (7R)-
分子式:
C40H78NO8P
分子量:
732.02299451828

1-棕榈酰-2-棕榈油酰基-Sn-甘油-3-磷酰胆碱(53595-24-7)名称与标识符

名称

中文别名:
1-棕榈酰-2-棕榈油酰基-Sn-甘油-3-磷酰胆碱;
英文别名:
3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-, innersalt, 4-oxide, (7R)-;[(2R)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine;3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-hexadecenyl)oxy]-, inner salt, 4-oxide, [R-(Z)]-;sn-1-palmitoyl-2-palmitoleoylphosphatidylcholine;PC(16:0/16:1(9Z));GPC(16:0/16:1);1-(16,16,16-Trideuteriopalmitoyl)-2-palmitoleoyl-sn-glycero-3-phosphocholine;3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-9-hexadecenyl)oxy)-, hydroxide, inner salt, 4-oxide, (R-(Z))-;1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1);(2R)-3-(hexadecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate;CHEBI:74000;1-palmitoyl-2-palmitoleoyl-GPC;1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine zwitterion;Ppa-gpc;(R-(Z))-4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxo-9-hexadecenyl)oxy)-3,5,9-trioxa-4-phosphapentacosan-1-aminium, hydroxide, inner salt, 4-oxide;PC 32:1;(2R)-3-(hexadecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate;LMGP01010566;DTXSID901209735;(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate;1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine;53595-24-7;PC(16:0/16:1);(CD3-16.0)(16.1)PC;

标识符

InChIKey:
QIBZFHLFHCIUOT-NPBIGWJUSA-N
Inchi:
1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,38H,6-16,18,20-37H2,1-5H3/b19-17-/t38-/m1/s1
SMILES:
P(=O)([O-])(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCC)=O)OCC[N+](C)(C)C

1-棕榈酰-2-棕榈油酰基-Sn-甘油-3-磷酰胆碱(53595-24-7)物化性质

实验特性

  • PSA : 111.19

计算特性

  • 精确分子量 : 731.54684
  • 氢键供体数量 : 0
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 39
  • 同位素质量 : 731.54650544g/mol
  • 重原子数量 : 50
  • 复杂度 : 868
  • 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 : 1
  • 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) : 12.5
  • 拓扑分子极性表面积 : 111Ų