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ChemSpider 2D Image | (2S)-2,3-Dihydroxypropyl (2R)-2-hydroxy-3-(palmitoyloxy)propyl phosphate | C22H44O9P

(2S)-2,3-Dihydroxypropyl (2R)-2-hydroxy-3-(palmitoyloxy)propyl phosphate

  • Molecular FormulaC22H44O9P
  • Average mass483.554 Da
  • Monoisotopic mass483.272858 Da
  • ChemSpider ID26328542
  • 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-(palmitoyloxy)propyl phosphate [ACD/IUPAC Name]
(2S)-2,3-Dihydroxypropyl-(2R)-2-hydroxy-3-(palmitoyloxy)propylphosphat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (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-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2S)-2,3-dihydroxypropyl (2R)-2-hydroxy-3-(hexadecanoyloxy)propyl phosphate
(2S)-2,3-dihydroxypropyl (2R)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphate
  • Miscellaneous
    • Chemical Class:

      A 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the acyl group is specified as hexadecanoyl (palmitoyl); major species at pH 7.3. ChEBI CHEBI:75158

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

Boiling Point: 626.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 332.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.95
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 155 Å2
Surface Tension:
Molar Volume:

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