ChemSpider 2D Image | 1,2-Diarachidoyl-sn-glycero-3-phosphoethanolamine | C45H90NO8P

1,2-Diarachidoyl-sn-glycero-3-phosphoethanolamine

  • Molecular FormulaC45H90NO8P
  • Average mass804.172 Da
  • Monoisotopic mass803.640381 Da
  • ChemSpider ID21163415

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl icosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyl-icosanoat [German] [ACD/IUPAC Name]
1,2-Diarachidoyl-sn-glycero-3-phosphoethanolamine
279-691-8 [EINECS]
81123-32-2 [RN]
Eicosanoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
Icosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(icosanoyloxy)propyle [French] [ACD/IUPAC Name]
(2-aminoethoxy)[(2R)-2,3-bis(icosanoyloxy)propoxy]phosphinic acid
(R)-1-((((2-Aminoethoxy)hydroxyphosphinyl)oxy)methyl)ethylene diicosanoate
(R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]ethylene diicosanoate
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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: 1.0±0.1 g/cm3
Boiling Point: 795.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 434.9±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 229.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 47
#Rule of 5 Violations: 2
ACD/LogP: 17.95
ACD/LogD (pH 5.5): 13.01
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 91.0±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 816.7±3.0 cm3

Click to predict properties on the Chemicalize site


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