ChemSpider 2D Image | 3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(henicosanoyloxy)propyl docosanoate | C48H96NO8P

3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(henicosanoyloxy)propyl docosanoate

  • Molecular FormulaC48H96NO8P
  • Average mass846.252 Da
  • Monoisotopic mass845.687378 Da
  • ChemSpider ID7825867

More details:

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

3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(henicosanoyloxy)propyl docosanoate [ACD/IUPAC Name]
3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(henicosanoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de 3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(henicosanoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, 3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1-oxoheneicosyl)oxy]propyl ester [ACD/Index Name]
1-docosanoyl-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine
GPEtn(22:0/21:0)[U]

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

LMGP02010218 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 821.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 129.7±6.0 kJ/mol
Flash Point: 450.4±37.1 °C
Index of Refraction: 1.474
Molar Refractivity: 243.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 19.55
ACD/LogD (pH 5.5): 14.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.22
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 96.5±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 866.3±3.0 cm3

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