CAS 18194-24-6|CAS 18656-38-7|(2-{[2,3-bis(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium|3-sn-Phosphatidylcholine, 1,2-dimyristoyl|1,2-Ditetradecanoyl-sn-glycero-3-phosphocholine|Ch...

基本信息

化学结构

分子式

C₃₆H₇₂NO₈P

分子量

677.932541

精确质量

677.4995549

电荷

InChI

InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3

InChIKey

CITHEXJVPOWHKC-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]

Isomeric Smiles

CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

计算属性

JChem

LogD (pH = 7.4)

8.36

LogD (pH = 5.5)

8.36

Log P

6.34

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

false

Acid pKa

1.86

极化表面积

111.19

极化性

81.72

摩尔折射率

197.46

数据来源

名称和标识

IUPAC标准名

(2-{[2,3-bis(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium

别名

3-sn-Phosphatidylcholine, 1,2-dimyristoyl1,2-Ditetradecanoyl-sn-glycero-3-phosphocholineβ-γ-DIMYRISTOYL-L-α-LECITHIN1,2-Dimyristoyl-sn-glycero-3-phosphocholinerac-Phosphatidylcholine, 1,2-dimyristoylDL-β,γ-Dimyristoyl-α-lecithin1,2-Dimyristoyl-rac-glycero-3-phosphocholine1,2-Ditetradecanoyl-rac-glycerol-3-phosphocholineDL-α-Dimyristoyl-phosphatidylcholine[2-({[2,3-bis(tetradecanoyloxy)propyl] phosphonato}oxy)ethyl]trimethylazanium2,3-bis(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate(1)-(7-myristoyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphatricosyl)trimethylammonium 4-oxidedimyristoyl phosphatidylcholineDMPCdimyristoylphosphatidylcholinedimyristoyl-phosphatidylcholine

IUPAC传统名

Cho

名称和标识

数据登录号

CAS号

18194-24-618656-38-7

EC号

242-085-9242-481-1

PubChem CID

26197

PubChem SID

1620892682489889485434548