ChemSpider 2D Image | (2S,3S,4R)-2-(Hexanoylamino)-3,4-dihydroxyoctadecyl phosphate | C24H48NO7P

(2S,3S,4R)-2-(Hexanoylamino)-3,4-dihydroxyoctadecyl phosphate

  • Molecular FormulaC24H48NO7P
  • Average mass493.615 Da
  • Monoisotopic mass493.317932 Da
  • ChemSpider ID58163969

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,4R)-2-(Hexanoylamino)-3,4-dihydroxyoctadecyl phosphate [ACD/IUPAC Name]
(2S,3S,4R)-2-(Hexanoylamino)-3,4-dihydroxyoctadecylphosphat [German] [ACD/IUPAC Name]
Hexanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-[(phosphonooxy)methyl]heptadecyl]-, ion(2-) [ACD/Index Name]
Phosphate de (2S,3S,4R)-2-(hexanoylamino)-3,4-dihydroxyoctadécyle [French] [ACD/IUPAC Name]
N-(hexanoyl)-4-hydroxysphinganine-1-phosphate
N-hexanoyl-(4R)-hydroxysphinganine-1-phosphate
N-hexanoyl-4-hydroxysphinganine 1-phosphate(2-)
N-hexanoylphytosphingosine 1-phosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An anionic phospholipid obtained by deprotonation of the phosphate OH groups of N-hexanoylphytosphingosine 1-phosphate; major species at pH 7.3. ChEBI CHEBI:88096

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 5.86
ACD/KOC (pH 5.5): 13.82
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 152 Å2
Polarizability:
Surface Tension:
Molar Volume:

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