ChemSpider 2D Image | 3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (9E)-9-octadecenoate | C35H67O8P

3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (9E)-9-octadecenoate

  • Molecular FormulaC35H67O8P
  • Average mass646.875 Da
  • Monoisotopic mass646.457336 Da
  • ChemSpider ID35013322

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E)-9-Octadécénoate de 3-(phosphonooxy)-2-(tetradecanoyloxy)propyle [French] [ACD/IUPAC Name]
3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (9E)-9-octadecenoate [ACD/IUPAC Name]
3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl-(9E)-9-octadecenoat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, 2-[(1-oxotetradecyl)oxy]-3-(phosphonooxy)propyl ester, (9E)- [ACD/Index Name]
{3-[(9E)-octadec-9-enoyloxy]-2-(tetradecanoyloxy)propoxy}phosphonic acid
3-[(9E)-octadec-9-enoyloxy]-2-(tetradecanoyloxy)propoxyphosphonic acid
Glycerol 1-(9Z-octadecenoate) 2-tetradecanoate 3-phosphate

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 706.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 381.1±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 13.15
ACD/LogD (pH 5.5): 8.48
ACD/BCF (pH 5.5): 255003.48
ACD/KOC (pH 5.5): 28477.11
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 30003.70
ACD/KOC (pH 7.4): 3350.61
Polar Surface Area: 129 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 632.7±3.0 cm3

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