ChemSpider 2D Image | Sphingadienine | C18H35NO2

Sphingadienine

  • Molecular FormulaC18H35NO2
  • Average mass297.476 Da
  • Monoisotopic mass297.266785 Da
  • ChemSpider ID24823205

  • 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,14Z)-2-Amino-4,14-octadecadien-1,3-diol [German] [ACD/IUPAC Name]
(2S,3R,4E,14Z)-2-Amino-4,14-octadecadiene-1,3-diol [ACD/IUPAC Name]
(2S,3R,4E,14Z)-2-Amino-4,14-octadécadiène-1,3-diol [French] [ACD/IUPAC Name]
25696-03-1 [RN]
4,14-Octadecadiene-1,3-diol, 2-amino-, (2S,3R,4E,14Z)- [ACD/Index Name]
sphinga-4E,14Z-dienine
Sphingadienine
(2S,3R,4E,14Z)-2-aminooctadeca-4,14-diene-1,3-diol
(4E, 14Z)-Sphingadienine-C18
(4E,14Z)-sphingadienine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 445.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±6.0 kJ/mol
Flash Point: 223.4±28.7 °C
Index of Refraction: 1.501
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 6.10
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 21.11
ACD/KOC (pH 7.4): 93.54
Polar Surface Area: 66 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 312.3±3.0 cm3

Click to predict properties on the Chemicalize site


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