ChemSpider 2D Image | (2R)-2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-(phosphonooxy)propyl (11Z)-11-icosenoate | C41H73O8P

(2R)-2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-(phosphonooxy)propyl (11Z)-11-icosenoate

  • Molecular FormulaC41H73O8P
  • Average mass724.987 Da
  • Monoisotopic mass724.504333 Da
  • ChemSpider ID74876843

  • 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)-2-[(9Z,12Z,15Z)-9,12,15-octadecatrienoyloxy]-3-(phosphonooxy)propyle [French] [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-(phosphonooxy)propyl (11Z)-11-icosenoate [ACD/IUPAC Name]
(2R)-2-[(9Z,12Z,15Z)-9,12,15-Octadecatrienoyloxy]-3-(phosphonooxy)propyl-(11Z)-11-icosenoat [German] [ACD/IUPAC Name]
11-Eicosenoic acid, (2R)-2-[[(9Z,12Z,15Z)-1-oxo-9,12,15-octadecatrien-1-yl]oxy]-3-(phosphonooxy)propyl ester, (11Z)- [ACD/Index Name]
(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphonic acid
[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphonic acid
1-(11Z-eicosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phosphate
PA(18:3_20:1)
PA(20:1(11Z)/18:3(9Z,12Z,15Z))
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: 14.63
ACD/LogD (pH 5.5): 8.06
ACD/BCF (pH 5.5): 121419.81
ACD/KOC (pH 5.5): 16742.75
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 14286.29
ACD/KOC (pH 7.4): 1969.96
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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