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...

General Information

Structure

Molecular Formula

C₃₂H₆₄NO₈P

Molecular Mass

621.826221

Exact Mass

621.43695464

Charge

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

Calculated Properties

JChem

Acid pKa

1.8550572

H Acceptors

H Donor

LogD (pH = 5.5)

6.580751

LogD (pH = 7.4)

6.5808473

Log P

4.557247

Molar Refractivity

179.0571

Polarizability

67.68005

Polar Surface Area

111.19

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

dilauroyl phosphatidylcholine

Synonyms

1,2-Dilauroyl-sn-glycero-3-phosphocholinePC(12:0/12:0)(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-lecithin3-sn-Phosphatidylcholine, 1,2-dilauroylDLPC1,2-Dilauroyl-sn-glycero-3-phosphorylcholine1,2-Didodecanoyl-sn-glycero-3-phosphocholine2,3-Dilauroyl-sn-glycero-1-phosphocholineD-β,γ-Dilauroyl-α-lecithin2,3-Didocecanoyl-sn-glycero-1-phosphocholine1-sn-Phosphatidylcholine, 2,3-dilauroyl

IUPAC name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD00066561

CAS Number

18194-25-7127641-86-5

PubChem SID

2489817724864005162226797

Beilstein Number

56769253578160