ChemSpider 2D Image | (2S,3R,4E)-2-Amino(1,1-~2~H_2_)-4-octadecene-1,3-diol | C18H35D2NO2

(2S,3R,4E)-2-Amino(1,1-2H2)-4-octadecene-1,3-diol

  • Molecular FormulaC18H35D2NO2
  • Average mass301.504 Da
  • Monoisotopic mass301.294983 Da
  • ChemSpider ID67491664
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(2S,3R,4E)-2-Amino(1,1-2H2)-4-octadecen-1,3-diol [German] [ACD/IUPAC Name]
(2S,3R,4E)-2-Amino(1,1-2H2)-4-octadecene-1,3-diol [ACD/IUPAC Name]
(2S,3R,4E)-2-Amino(1,1-2H2)-4-octadécène-1,3-diol [French] [ACD/IUPAC Name]
4-Octadecene-1,1-d2-1,3-diol, 2-amino-, (2S,3R,4E)- [ACD/Index Name]
d2-sphingosine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 445.9±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: 223.5±28.7 °C
Index of Refraction: 1.489
Molar Refractivity: 92.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 8.19
ACD/KOC (pH 5.5): 21.85
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 125.49
ACD/KOC (pH 7.4): 334.94
Polar Surface Area: 66 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 318.7±3.0 cm3

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