ChemSpider 2D Image | 1-stearoyl-2-oleoyl-sn-glycero-3-phosphate | C39H75O8P

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

  • Molecular FormulaC39H75O8P
  • Average mass702.982 Da
  • Monoisotopic mass702.519958 Da
  • ChemSpider ID24823112
  • 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)-9-octadecenoate [ACD/IUPAC Name]
(2R)-1-(Phosphonooxy)-3-(stearoyloxy)-2-propanyl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (2R)-1-(phosphonooxy)-3-(stearoyloxy)-2-propanyle [French] [ACD/IUPAC Name]
1-stearoyl-2-oleoyl-sn-glycero-3-phosphate
9-Octadecenoic acid, (1R)-2-[(1-oxooctadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxyphosphonic acid
(2R)-3-(octadecanoyloxy)-1-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate
(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate
[(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphonic acid
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphate
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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

Density: 1.0±0.1 g/cm3
Boiling Point: 743.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 403.5±35.7 °C
Index of Refraction: 1.479
Molar Refractivity: 198.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 15.28
ACD/LogD (pH 5.5): 10.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 234317.58
ACD/LogD (pH 7.4): 9.23
ACD/BCF (pH 7.4): 570054.81
ACD/KOC (pH 7.4): 27569.85
Polar Surface Area: 129 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 698.8±3.0 cm3

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