CAS 18194-25-7|CAS 127641-86-5|dilauroyl phosphatidylcholine|1,2-Dilauroyl-sn-glycero-3-phosphocholine|PC(12:0/12:0)|(7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-3,5,9-trioxa-4-phosph...

基本信息

化学结构

分子式

C₃₂H₆₄NO₈P

分子量

621.826221

精确质量

621.43695464

电荷

InChI

InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/t30-/m1/s1

InChIKey

IJFVSSZAOYLHEE-SSEXGKCCSA-N

Canonic Smiles

CCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]

Isomeric Smiles

CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC

计算属性

JChem

Acid pKa

1.8550572

质子受体

质子供体

LogD (pH = 5.5)

6.580751

LogD (pH = 7.4)

6.5808473

Log P

4.557247

摩尔折射率

179.0571

极化性

67.68005

极化表面积

111.19

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC传统名

dilauroyl phosphatidylcholine

别名

PC(12:0/12:0)1,2-Dilauroyl-sn-glycero-3-phosphocholine3-sn-Phosphatidylcholine, 1,2-dilauroyl(7R)-4-Hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxododecyl)oxy]-3,5,9-trioxa-4-phosphaheneicosan-1-aminium 4-oxide, inner saltL-β,γ-Dilauroyl-α-lecithinDLPC1,2-Didodecanoyl-sn-glycero-3-phosphocholine1,2-Dilauroyl-sn-glycero-3-phosphorylcholine2,3-Dilauroyl-sn-glycero-1-phosphocholineD-β,γ-Dilauroyl-α-lecithin2,3-Didocecanoyl-sn-glycero-1-phosphocholine1-sn-Phosphatidylcholine, 2,3-dilauroyl

IUPAC标准名

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

名称和标识

数据登录号

MDL号

MFCD00066561

CAS号

18194-25-7127641-86-5

PubChem SID

2489817724864005162226797

Beilstein号

56769253578160