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

General Information

Structure

Molecular Formula

C₃₆H₇₂NO₈P

Molecular Mass

677.932541

Exact Mass

677.4995549

Charge

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

Calculated Properties

JChem

LogD (pH = 7.4)

8.36

LogD (pH = 5.5)

8.36

Log P

6.34

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

1.86

Polar Surface Area

111.19

Polarizability

81.72

Molar Refractivity

197.46

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

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-dimyristoyl1,2-Dimyristoyl-rac-glycero-3-phosphocholineDL-β,γ-Dimyristoyl-α-lecithin1,2-Ditetradecanoyl-rac-glycerol-3-phosphocholineDL-α-Dimyristoyl-phosphatidylcholine[2-({[2,3-bis(tetradecanoyloxy)propyl] phosphonato}oxy)ethyl]trimethylazaniumdimyristoyl-phosphatidylcholinedimyristoylphosphatidylcholine2,3-bis(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate(1)-(7-myristoyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphatricosyl)trimethylammonium 4-oxidedimyristoyl phosphatidylcholineDMPC

IUPAC Traditional name

Cho

Names and Identifiers

Registration numbers

CAS Number

18194-24-618656-38-7

EC Number

242-085-9242-481-1

PubChem CID

26197

PubChem SID

1620892682489889485434548