ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (2R)-2-hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl phosphatato | C24H46O9P

(2S)-2,3-Dihydroxypropyl (2R)-2-hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl phosphatato

  • Molecular FormulaC24H46O9P
  • Average mass509.591 Da
  • Monoisotopic mass509.288483 Da
  • ChemSpider ID28639127
  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2,3-Dihydroxypropyl (2R)-2-hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl phosphatato [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(2R)-2-hydroxy-3-[(9Z)-9-octadecenoyloxy]propylphosphat [German] [ACD/IUPAC Name]
9-Octadecenoato, (2R)-3-[[[(2S)-2,3-dihydroxypropoxy]hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, ion(1-), (9Z)- [ACD/Index Name]
Phosphate de (2S)-2,3-dihydroxypropyle et de (2R)-2-hydroxy-3-[(9Z)-9-octadecenoyloxy]propyle [French] [ACD/IUPAC Name]
(2S)-2,3-dihydroxypropyl (2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphate
  • Miscellaneous
    • Chemical Class:

      A 1-acyl-sn-glycero 3-phospho-(1'-sn-glycerol)(1-) in which the acyl group is specified as 9Z-octadecenoyl; major species at pH 7.3. ChEBI CHEBI:72828

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

Boiling Point: 645.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±6.0 kJ/mol
Flash Point: 344.4±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 3.87
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.27
Polar Surface Area: 155 Å2
Surface Tension:
Molar Volume:

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