ChemSpider 2D Image | (2R)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propyl phosphate | C21H39O7P

(2R)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propyl phosphate

  • Molecular FormulaC21H39O7P
  • Average mass434.505 Da
  • Monoisotopic mass434.244446 Da
  • ChemSpider ID31150336

  • Charge - Charge

    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)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propyl phosphate [ACD/IUPAC Name]
(2R)-3-Hydroxy-2-[(9Z)-9-octadecenoyloxy]propylphosphat [German] [ACD/IUPAC Name]
9-Octadecenoic acid, (1R)-2-hydroxy-1-[(phosphonooxy)methyl]ethyl ester, ion(2-), (9Z)- [ACD/Index Name]
Phosphate de (2R)-3-hydroxy-2-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2R)-3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propyl phosphate
2-(9Z)-octadecenoyl-sn-glycero-3-phosphate(2-)
2-(9Z-octadecenoyl)-sn-glycero-3-phosphate
2-oleoyl-sn-glycero-3-phosphate(2-)
LPA 0:0/18:1(ω-9)(2-)
  • Miscellaneous

    • Chemical Class:

      A 2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-oleoyl-sn-glycero-3-phosphate; major species at pH 7.3. ChEBI CHEBI:77593

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 581.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 305.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 8.51
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability:
Surface Tension:
Molar Volume:

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