ChemSpider 2D Image | PA(18:1(11Z)/18:1(9Z)) | C39H73O8P

PA(18:1(11Z)/18:1(9Z))

  • Molecular FormulaC39H73O8P
  • Average mass700.966 Da
  • Monoisotopic mass700.504333 Da
  • ChemSpider ID24766517

  • 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-[(11Z)-11-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(2R)-1-[(11Z)-11-Octadecenoyloxy]-3-(phosphonooxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2R)-1-[(11Z)-11-octadecenoyloxy]-3-(phosphonooxy)-2-propanyle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-[[(11Z)-1-oxo-11-octadecen-1-yl]oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9Z)- [ACD/Index Name]
PA(18:1(11Z)/18:1(9Z))
(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxyphosphonic acid
[(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid
1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-phosphatidic acid
1-vaccenoyl-2-oleoyl-sn-glycero-3-phosphate
PA(18:1/18:1)
More...

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: 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): 406200.38
ACD/KOC (pH 5.5): 39739.61
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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