ChemSpider 2D Image | 25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl henicosanoate | C42H84NO8P

25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl henicosanoate

  • Molecular FormulaC42H84NO8P
  • Average mass762.092 Da
  • Monoisotopic mass761.593445 Da
  • ChemSpider ID7825920

More details:

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

25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl henicosanoate [ACD/IUPAC Name]
25-Amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yl-henicosanoat [German] [ACD/IUPAC Name]
Heneicosanoic acid, 2-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester [ACD/Index Name]
Hénicosanoate de 25-amino-22-hydroxy-16-oxo-22-oxydo-17,21,23-trioxa-22λ5-phosphapentacosan-19-yle [French] [ACD/IUPAC Name]
1-hexadecanoyl-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine
GPEtn(16:0/21:0)[U]

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

LMGP02010271 [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: 769.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 418.9±35.7 °C
Index of Refraction: 1.474
Molar Refractivity: 215.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 44
#Rule of 5 Violations: 2
ACD/LogP: 16.36
ACD/LogD (pH 5.5): 11.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4269770.00
ACD/LogD (pH 7.4): 11.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3439876.75
Polar Surface Area: 144 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 767.2±3.0 cm3

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