ChemSpider 2D Image | N-acetylsphingosine 1-phosphate | C20H40NO6P

N-acetylsphingosine 1-phosphate

  • Molecular FormulaC20H40NO6P
  • Average mass421.509 Da
  • Monoisotopic mass421.259338 Da
  • ChemSpider ID21865439

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R,4E)-2-Acetamido-3-hydroxy-4-octadecen-1-yl dihydrogen phosphate [ACD/IUPAC Name]
(2S,3R,4E)-2-Acetamido-3-hydroxy-4-octadecen-1-yldihydrogenphosphat [German] [ACD/IUPAC Name]
Acetamide, N-[(1S,2R,3E)-2-hydroxy-1-[(phosphonooxy)methyl]-3-heptadecen-1-yl]- [ACD/Index Name]
Dihydrogénophosphate de (2S,3R,4E)-2-acétamido-3-hydroxy-4-octadécén-1-yle [French] [ACD/IUPAC Name]
N-acetylsphingosine 1-phosphate
(1S,2R,3E)-2-acetamido-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
(2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
[(E,2S,3R)-2-acetamido-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
151729-55-4 [RN]
1PW
More...

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: 1.496
Molar Refractivity: 111.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 382.0±3.0 cm3

Click to predict properties on the Chemicalize site


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