ChemSpider 2D Image | 28-Amino-25-hydroxy-25-oxido-19-oxo-20,24,26-trioxa-25lambda~5~-phosphaoctacosan-22-yl henicosanoate | C45H90NO8P

28-Amino-25-hydroxy-25-oxido-19-oxo-20,24,26-trioxa-25λ5-phosphaoctacosan-22-yl henicosanoate

  • Molecular FormulaC45H90NO8P
  • Average mass804.172 Da
  • Monoisotopic mass803.640381 Da
  • ChemSpider ID7825726

More details:

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

28-Amino-25-hydroxy-25-oxido-19-oxo-20,24,26-trioxa-25λ5-phosphaoctacosan-22-yl henicosanoate [ACD/IUPAC Name]
28-Amino-25-hydroxy-25-oxido-19-oxo-20,24,26-trioxa-25λ5-phosphaoctacosan-22-yl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, 2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxononadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Hénicosanoate de 28-amino-25-hydroxy-19-oxo-25-oxydo-20,24,26-trioxa-25λ5-phosphaoctacosan-22-yle [French] [ACD/IUPAC Name]
1-nonadecanoyl-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine
GPEtn(19:0/21:0)[U]
Heneicosanoic acid, 1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxononadecyl)oxy]ethyl ester

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

LMGP02010072 [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: 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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