ChemSpider 2D Image | (2R)-1-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)-2-propanyl heptadecanoate | C35H67O8P

(2R)-1-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)-2-propanyl heptadecanoate

  • Molecular FormulaC35H67O8P
  • Average mass646.875 Da
  • Monoisotopic mass646.457336 Da
  • ChemSpider ID113378915

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)-2-propanyl heptadecanoate [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Pentadecenoyloxy]-3-(phosphonooxy)-2-propanyl-heptadecanoat [German] [ACD/IUPAC Name]
Heptadécanoate de (2R)-1-[(9Z)-9-pentadecenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
Heptadecanoic acid, (1R)-2-[[(9Z)-1-oxo-9-pentadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester [ACD/Index Name]
1-(9Z-pentadecenoyl)-2-heptadecanoyl-glycero-3-phosphate
PA(15:1(9Z)/17:0)
PA(15:1_17:0)
PA(32:1)

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): 8.39
ACD/BCF (pH 5.5): 216035.73
ACD/KOC (pH 5.5): 25289.72
ACD/LogD (pH 7.4): 7.46
ACD/BCF (pH 7.4): 25418.75
ACD/KOC (pH 7.4): 2975.59
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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