ChemSpider 2D Image | (2R)-2-[(9E,12E)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | C42H80NO8P

(2R)-2-[(9E,12E)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate

  • Molecular FormulaC42H80NO8P
  • Average mass758.060 Da
  • Monoisotopic mass757.562134 Da
  • ChemSpider ID17341551
  • 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-[(9E,12E)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9E,12E)-9,12-Octadecadienoyloxy]-3-(palmitoyloxy)propyl-2-(trimethylammonio)ethylphosphat [German] [ACD/IUPAC Name]
Ethanaminium, 2-[[hydroxy[(2R)-3-[(1-oxohexadecyl)oxy]-2-[[(9E,12E)-1-oxo-9,12-octadecadien-1-yl]oxy]propoxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt [ACD/Index Name]
Phosphate de (2R)-2-[(9E,12E)-9,12-octadecadienoyloxy]-3-(palmitoyloxy)propyle et de 2-(triméthylammonio)éthyle [French] [ACD/IUPAC Name]
(2-{[(2R)-3-(hexadecanoyloxy)-2-(octadeca-9,12-dienoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9E,12E)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM
[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
1-Hexadecanoyl-2-(cis-9,12-octadecadienoyl)-sn-glycero-3-phosphocholine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

61752_FLUKA [DBID]
61757_FLUKA [DBID]
P9648_SIGMA [DBID]

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): 9.30
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5154214.50
ACD/LogD (pH 7.4): 9.30
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5154390.00
Polar Surface Area: 121 Å2
Polarizability:
Surface Tension:
Molar Volume:

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