ChemSpider 2D Image | 1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine | C44H76NO8P

1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

  • Molecular FormulaC44H76NO8P
  • Average mass778.050 Da
  • Monoisotopic mass777.530884 Da
  • ChemSpider ID24766868

  • 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[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
1,2-di-[(9Z,12Z,15Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine
Ethanaminium, 2-[[[(2R)-2,3-bis[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]propoxy]hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2,3-bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
(2R)-2,3-bis{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
1-&α
1-&α;-linolenoyl-2-&α;-linolenoyl-phosphatidylcholine
1,2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

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: 38
#Rule of 5 Violations: 2
ACD/LogP: 9.57
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 351412.25
ACD/KOC (pH 5.5): 480606.75
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 351424.22
ACD/KOC (pH 7.4): 480623.13
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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