ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(docosanoyloxy)propyl docosanoate | C49H98NO8P

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

  • Molecular FormulaC49H98NO8P
  • Average mass860.278 Da
  • Monoisotopic mass859.703003 Da
  • ChemSpider ID7825817

  • 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-(docosanoyloxy)propyl docosanoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(docosanoyloxy)propyl-docosanoat [German] [ACD/IUPAC Name]
Docosanoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-(docosanoyloxy)propyle [French] [ACD/IUPAC Name]
Docosanoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
(2-aminoethoxy)[(2R)-2,3-bis(docosanoyloxy)propoxy]phosphinic acid
1,2-Dibehenoyl-rac-glycero-3-phosphoethanolamine
1,2-didocosanoyl-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2,3-bis(docosanoyloxy)propoxyphosphinic acid
Docosanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-
GPEtn(22:0/22:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LMGP02010168 [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: 829.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 455.5±37.1 °C
Index of Refraction: 1.474
Molar Refractivity: 248.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 2
ACD/LogP: 20.08
ACD/LogD (pH 5.5): 14.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 144 Å2
Polarizability: 98.3±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 882.8±3.0 cm3

Click to predict properties on the Chemicalize site


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