ChemSpider 2D Image | O-(Hydroxy{2-[(9E,12E)-9,12-octadecadienoyloxy]-3-(stearoyloxy)propoxy}phosphoryl)serine | C42H78NO10P

O-(Hydroxy{2-[(9E,12E)-9,12-octadecadienoyloxy]-3-(stearoyloxy)propoxy}phosphoryl)serine

  • Molecular FormulaC42H78NO10P
  • Average mass788.043 Da
  • Monoisotopic mass787.536316 Da
  • ChemSpider ID95750414

  • Double-bond stereo - Double-bond stereo

More details:

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

9,12-Octadecadienoic acid, 2-[[(2-amino-2-carboxyethoxy)hydroxyphosphinyl]oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl ester, (9E,12E)- [ACD/Index Name]
O-(Hydroxy{2-[(9E,12E)-9,12-octadecadienoyloxy]-3-(stearoyloxy)propoxy}phosphoryl)serin [German] [ACD/IUPAC Name]
O-(Hydroxy{2-[(9E,12E)-9,12-octadecadienoyloxy]-3-(stearoyloxy)propoxy}phosphoryl)serine [ACD/IUPAC Name]
O-(Hydroxy{2-[(9E,12E)-9,12-octadecadienoyloxy]-3-(stearoyloxy)propoxy}phosphoryl)sérine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
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: 1.491
Molar Refractivity: 217.2±0.3 cm3
#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: 181 Å2
Polarizability: 86.1±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 749.4±3.0 cm3

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