ChemSpider 2D Image | 22-Amino-19-hydroxy-19-oxido-13-oxo-14,18,20-trioxa-19lambda~5~-phosphadocosan-16-yl henicosanoate | C39H78NO8P

22-Amino-19-hydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphadocosan-16-yl henicosanoate

  • Molecular FormulaC39H78NO8P
  • Average mass720.012 Da
  • Monoisotopic mass719.546509 Da
  • ChemSpider ID7825886

More details:

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

22-Amino-19-hydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphadocosan-16-yl henicosanoate [ACD/IUPAC Name]
22-Amino-19-hydroxy-19-oxido-13-oxo-14,18,20-trioxa-19λ5-phosphadocosan-16-yl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, 2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxotridecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Hénicosanoate de 22-amino-19-hydroxy-13-oxo-19-oxydo-14,18,20-trioxa-19λ5-phosphadocosan-16-yle [French] [ACD/IUPAC Name]
1-tridecanoyl-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine
GPEtn(13:0/21:0)[U]

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

LMGP02010237 [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: 742.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.8±6.0 kJ/mol
Flash Point: 402.6±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 201.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 2
ACD/LogP: 14.77
ACD/LogD (pH 5.5): 10.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 977039.31
ACD/LogD (pH 7.4): 10.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 787137.25
Polar Surface Area: 144 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 717.7±3.0 cm3

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