ChemSpider 2D Image | 1-[(9Z)-hexadecenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine | C42H80NO8P

1-[(9Z)-hexadecenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC42H80NO8P
  • Average mass758.060 Da
  • Monoisotopic mass757.562134 Da
  • ChemSpider ID24766673
  • 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)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(11Z)-11-octadecenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-3-[(9Z)-9-Hexadecenoyloxy]-2-[(11Z)-11-octadecenoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1-[(9Z)-hexadecenoyl]-2-[(11Z)-octadecenoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[hydroxy[(2R)-3-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-3-[(9Z)-9-hexadecenoyloxy]-2-[(11Z)-11-octadecenoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(11Z)-octadec-11-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
1-Palmitoleoyl-2-vaccenoyl-sn-glycero-3-phosphocholine
GPCho(16:1/18:1)
GPCho(16:1n7/18:1n7)
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  • Miscellaneous
    • Chemical Class:

      A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (9<stereo>Z</stereo>)-hexadecenoyl and (11<stereo>Z</stereo>)-octadecenoyl respectively. ChEBI CHEBI:84810

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

Density:
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: 40
#Rule of 5 Violations: 2
ACD/LogP: 10.90
ACD/LogD (pH 5.5): 8.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1767513.00
ACD/LogD (pH 7.4): 8.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1767573.13
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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