ChemSpider 2D Image | Sphingosine-d7 (d18:1) | C18H30D7NO2

Sphingosine-d7 (d18:1)

  • Molecular FormulaC18H30D7NO2
  • Average mass306.535 Da
  • Monoisotopic mass306.326355 Da
  • ChemSpider ID57617975

  • Double-bond stereo - Double-bond stereo

    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(16,16,17,17,18,18,18-2H7)-4-octadecen-1,3-diol [German] [ACD/IUPAC Name]
(2S,3R,4E)-2-Amino(16,16,17,17,18,18,18-2H7)-4-octadecene-1,3-diol [ACD/IUPAC Name]
(2S,3R,4E)-2-Amino(16,16,17,17,18,18,18-2H7)-4-octadécène-1,3-diol [French] [ACD/IUPAC Name]
1246304-34-6 [RN]
4-Octadecene-16,16,17,17,18,18,18-d7-1,3-diol, 2-amino-, (2S,3R,4E)- [ACD/Index Name]
Sphingosine-d7 (d18:1)
(2S,?3R,?4E)?-2-?amino-?4-?Octadecene-?16,?16,?17,?17,?18,?18,?18-?d7-?1,?3-?diol
D-Erythro-sphingosine-d7
sphingosine-d7

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

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

Click to predict properties on the Chemicalize site


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