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ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (2R)-2-hydroxy-3-(stearoyloxy)propyl phosphatato | C24H48O9P

(2S)-2,3-Dihydroxypropyl (2R)-2-hydroxy-3-(stearoyloxy)propyl phosphatato

  • Molecular FormulaC24H48O9P
  • Average mass511.607 Da
  • Monoisotopic mass511.304138 Da
  • ChemSpider ID28639126
  • Charge - Charge

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

      A 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the acyl group is specified as octadecanoyl (stearoyl); major species at pH 7.3. ChEBI CHEBI:72827

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 645.5±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: 344.2±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 3.55
ACD/KOC (pH 5.5): 9.15
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 3.00
ACD/KOC (pH 7.4): 7.74
Polar Surface Area: 155 Å2
Surface Tension:
Molar Volume:

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