ChemSpider 2D Image | 6-hydroxysphing-4E-enine | C18H37NO3

6-hydroxysphing-4E-enine

  • Molecular FormulaC18H37NO3
  • Average mass315.491 Da
  • Monoisotopic mass315.277344 Da
  • ChemSpider ID24823206

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,3R,4E)-2-Amino-4-octadecen-1,3,6-triol [German] [ACD/IUPAC Name]
(2S,3R,4E)-2-Amino-4-octadecene-1,3,6-triol [ACD/IUPAC Name]
(2S,3R,4E)-2-Amino-4-octadécène-1,3,6-triol [French] [ACD/IUPAC Name]
4-Octadecene-1,3,6-triol, 2-amino-, (2S,3R,4E)- [ACD/Index Name]
6-hydroxysphing-4E-enine
(2S,3R,4E)-2-aminooctadec-4-ene-1,3,6-triol
6-HYDROXYSPHINGOSINE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 493.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 252.1±28.7 °C
Index of Refraction: 1.503
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.42
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 16.96
ACD/KOC (pH 7.4): 88.08
Polar Surface Area: 87 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 316.6±3.0 cm3

Click to predict properties on the Chemicalize site


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