ChemSpider 2D Image | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine | C42H82NO8P


  • Molecular FormulaC42H82NO8P
  • Average mass760.076 Da
  • Monoisotopic mass759.577820 Da
  • ChemSpider ID4593686
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
248-056-7 [EINECS]
26853-31-6 [RN]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(9Z)-9-octadecenoyloxy]-3-(palmitoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TE895536Y5 [DBID]
CMC_12041 [DBID]
CMC_12042 [DBID]
LMGP01010005 [DBID]
UNII:TE895536Y5 [DBID]
UNII-TE895536Y5 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 11.42
ACD/LogD (pH 5.5): 10.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Surface Tension:
Molar Volume:

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