ChemSpider 2D Image | (2R)-1-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(phosphonooxy)-2-propanyl (11Z)-11-icosenoate | C41H73O8P

(2R)-1-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(phosphonooxy)-2-propanyl (11Z)-11-icosenoate

  • Molecular FormulaC41H73O8P
  • Average mass724.987 Da
  • Monoisotopic mass724.504333 Da
  • ChemSpider ID74876732

  • 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-[(6Z,9Z,12Z)-6,9,12-octadecatrienoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(phosphonooxy)-2-propanyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-1-[(6Z,9Z,12Z)-6,9,12-Octadecatrienoyloxy]-3-(phosphonooxy)-2-propanyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (1R)-2-[[(6Z,9Z,12Z)-1-oxo-6,9,12-octadecatrien-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (11Z)- [ACD/Index Name]
(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphonic acid
[(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphonic acid
1-(6Z,9Z,12Z-octadecatrienoyl)-2-(11Z-eicosenoyl)-glycero-3-phosphate
PA(18:3(6Z,9Z,12Z)/20:1(11Z))
PA(18:3_20:1)
PA(38:4)

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: 760.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 413.7±35.7 °C
Index of Refraction: 1.494
Molar Refractivity: 207.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 2
ACD/LogP: 14.69
ACD/LogD (pH 5.5): 8.50
ACD/BCF (pH 5.5): 262556.81
ACD/KOC (pH 5.5): 29077.83
ACD/LogD (pH 7.4): 7.57
ACD/BCF (pH 7.4): 30892.90
ACD/KOC (pH 7.4): 3421.35
Polar Surface Area: 129 Å2
Polarizability: 82.2±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 712.6±3.0 cm3

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