ChemSpider 2D Image | (2R)-1-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)-2-propanyl (11Z)-11-icosenoate | C39H73O8P

(2R)-1-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)-2-propanyl (11Z)-11-icosenoate

  • Molecular FormulaC39H73O8P
  • Average mass700.966 Da
  • Monoisotopic mass700.504333 Da
  • ChemSpider ID75336463

  • 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

(11Z)-11-Icosénoate de (2R)-1-[(9Z)-9-hexadecenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)-2-propanyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-1-[(9Z)-9-Hexadecenoyloxy]-3-(phosphonooxy)-2-propanyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (1R)-2-[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (11Z)- [ACD/Index Name]
1-(9Z-hexadecenoyl)-2-(11Z-eicosenoyl)-glycero-3-phosphate
PA(16:1(9Z)/20:1(11Z))
PA(16:1_20:1)
PA(36:2)

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

Density: 1.0±0.1 g/cm3
Boiling Point: 743.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.484
Molar Refractivity: 198.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.76
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 406201.28
ACD/KOC (pH 5.5): 39739.70
ACD/LogD (pH 7.4): 7.82
ACD/BCF (pH 7.4): 47793.62
ACD/KOC (pH 7.4): 4675.77
Polar Surface Area: 129 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 692.4±3.0 cm3

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