ChemSpider 2D Image | 2-Ammonio-8-[(9E,12E)-9,12-octadecadienoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacosan-1-oate 5-oxide | C42H77NO10P

2-Ammonio-8-[(9E,12E)-9,12-octadecadienoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacosan-1-oate 5-oxide

  • Molecular FormulaC42H77NO10P
  • Average mass787.036 Da
  • Monoisotopic mass786.529053 Da
  • ChemSpider ID95750413

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-Ammonio-8-[(9E,12E)-9,12-octadecadienoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacosan-1-oat-5-oxid [German] [ACD/IUPAC Name]
2-Ammonio-8-[(9E,12E)-9,12-octadecadienoyloxy]-5-oxido-11-oxo-4,6,10-trioxa-5-phosphaoctacosan-1-oate 5-oxide [ACD/IUPAC Name]
5-Oxyde de 2-ammonio-8-[(9E,12E)-9,12-octadecadienoyloxy]-11-oxo-5-oxydo-4,6,10-trioxa-5-phosphaoctacosan-1-oate [French] [ACD/IUPAC Name]
9,12-Octadecadienoic acid, 2-[[(2-amino-2-carboxyethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, inner salt, ion(1-), (9E,12E)- [ACD/Index Name]

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

Density:
Boiling Point: 815.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 447.2±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 15.09
ACD/LogD (pH 5.5): 9.05
ACD/BCF (pH 5.5): 641871.25
ACD/KOC (pH 5.5): 50530.84
ACD/LogD (pH 7.4): 8.94
ACD/BCF (pH 7.4): 502998.50
ACD/KOC (pH 7.4): 39598.19
Polar Surface Area: 189 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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