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Search term: ONJBJMDJKLHMEK-MPQUPPDSSA-K (Found by InChIKey (full match))
ChemSpider 2D Image | (2R)-2,3-Bis(palmitoyloxy)propyl (2S)-2-hydroxy-3-(phosphonatooxy)propyl phosphate | C38H73O13P2

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

  • Molecular FormulaC38H73O13P2
  • Average mass799.928 Da
  • Monoisotopic mass799.454285 Da
  • ChemSpider ID128920628

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-2,3-Bis(palmitoyloxy)propyl (2S)-2-hydroxy-3-(phosphonatooxy)propyl phosphate [ACD/IUPAC Name]
(2R)-2,3-Bis(palmitoyloxy)propyl-(2S)-2-hydroxy-3-(phosphonatooxy)propylphosphat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1R)-1-[[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]methyl]-1,2-ethanediyl ester, ion(1-) [ACD/Index Name]
Phosphate de (2R)-2,3-bis(palmitoyloxy)propyle et de (2S)-2-hydroxy-3-(phosphonatooxy)propyle [French] [ACD/IUPAC Name]
phosphatidylglycerophosphate (dihexadecanoyl, n-C16:0)

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

Density:
Boiling Point: 830.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.4±6.0 kJ/mol
Flash Point: 456.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 42
#Rule of 5 Violations: 3
ACD/LogP: 12.50
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 3560.29
ACD/KOC (pH 5.5): 614.38
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 667.88
ACD/KOC (pH 7.4): 115.25
Polar Surface Area: 223 Å2
Polarizability:
Surface Tension:
Molar Volume:

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