ChemSpider 2D Image | 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate | C39H73O8P

1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate

  • Molecular FormulaC39H73O8P
  • Average mass700.966 Da
  • Monoisotopic mass700.504333 Da
  • ChemSpider ID24766515

  • 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-(Phosphonooxy)-3-(stearoyloxy)-2-propanyl (9Z,12Z)-9,12-octadecadienoate [ACD/IUPAC Name]
(2R)-1-(Phosphonooxy)-3-(stearoyloxy)-2-propanyl-(9Z,12Z)-9,12-octadecadienoat [German] [ACD/IUPAC Name]
(9Z,12Z)-9,12-Octadécadiénoate de (2R)-1-(phosphonooxy)-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-stearoyl-2-linoleoyl-sn-glycero-3-phosphate
9,12-Octadecadienoic acid, (1R)-2-[(1-oxooctadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9Z,12Z)- [ACD/Index Name]
(2R)-1-(phosphonooxy)-3-(stearoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propoxyphosphonic acid
(2R)-3-(octadecanoyloxy)-1-(phosphonooxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propoxy]phosphonic acid
1-18:0-2-18:2-phosphatidic acid
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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): 9.66
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 125161.09
ACD/LogD (pH 7.4): 8.73
ACD/BCF (pH 7.4): 237382.77
ACD/KOC (pH 7.4): 14726.50
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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