ChemSpider 2D Image | 1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (3E)-3-hexadecenoate | C35H67O8P

1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (3E)-3-hexadecenoate

  • Molecular FormulaC35H67O8P
  • Average mass646.875 Da
  • Monoisotopic mass646.457336 Da
  • ChemSpider ID57506766

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-Hexadécénoate de 1-(palmitoyloxy)-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl (3E)-3-hexadecenoate [ACD/IUPAC Name]
1-(Palmitoyloxy)-3-(phosphonooxy)-2-propanyl-(3E)-3-hexadecenoat [German] [ACD/IUPAC Name]
3-Hexadecenoic acid, 2-[(1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (3E)- [ACD/Index Name]
2-[(3E)-HEXADEC-3-ENOYLOXY]-3-(HEXADECANOYLOXY)PROPOXYPHOSPHONIC ACID

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: 13.43
ACD/LogD (pH 5.5): 8.94
ACD/BCF (pH 5.5): 568529.63
ACD/KOC (pH 5.5): 50515.81
ACD/LogD (pH 7.4): 8.01
ACD/BCF (pH 7.4): 66930.78
ACD/KOC (pH 7.4): 5947.03
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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