ChemSpider 2D Image | 1,2-di-(9E-hexadecenoyl)-sn-glycero-3-phosphocholine | C40H76NO8P


  • Molecular FormulaC40H76NO8P
  • Average mass730.007 Da
  • Monoisotopic mass729.530884 Da
  • ChemSpider ID24822404
  • 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)-2,3-Bis[(9E)-9-hexadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis[(9E)-9-hexadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[[(2R)-2,3-bis[[(9E)-1-oxo-9-hexadecen-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2,3-bis[(9E)-9-hexadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2,3-bis(hexadec-9-enoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-2,3-bis[(9E)-hexadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
16:1 (δ9-Trans) PC
4724-96-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

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: 38
#Rule of 5 Violations: 2
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 7.91
ACD/BCF (pH 5.5): 835007.69
ACD/KOC (pH 5.5): 892971.50
ACD/LogD (pH 7.4): 7.91
ACD/BCF (pH 7.4): 835036.06
ACD/KOC (pH 7.4): 893001.94
Polar Surface Area: 121 Å2
Surface Tension:
Molar Volume:

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