ChemSpider 2D Image | N-hexanoylphytosphingosine 1-phosphate | C24H50NO7P

N-hexanoylphytosphingosine 1-phosphate

  • Molecular FormulaC24H50NO7P
  • Average mass495.630 Da
  • Monoisotopic mass495.332489 Da
  • ChemSpider ID58164028

  • 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 dihydrogen phosphate [ACD/IUPAC Name]
(2S,3S,4R)-2-(Hexanoylamino)-3,4-dihydroxyoctadecyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (2S,3S,4R)-2-(hexanoylamino)-3,4-dihydroxyoctadécyle [French] [ACD/IUPAC Name]
Hexanamide, N-[(1S,2S,3R)-2,3-dihydroxy-1-[(phosphonooxy)methyl]heptadecyl]- [ACD/Index Name]
N-hexanoylphytosphingosine 1-phosphate
CerP(t18:0/6:0)
N-hexanoyl-4-hydroxysphinganine 1-phosphate

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.493
Molar Refractivity: 131.5±0.3 cm3
#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: 146 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 452.3±3.0 cm3

Click to predict properties on the Chemicalize site


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