ChemSpider 2D Image | (2S,3R)-3-Hydroxy-2-octadecanaminium | C18H40NO

(2S,3R)-3-Hydroxy-2-octadecanaminium

  • Molecular FormulaC18H40NO
  • Average mass286.516 Da
  • Monoisotopic mass286.310455 Da
  • ChemSpider ID24929993

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-Hydroxy-2-octadecanaminium [German] [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-octadecanaminium [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy-2-octadécanaminium [French] [ACD/IUPAC Name]
3-Octadecanol, 2-amino-, conjugate acid, (2S,3R)- [ACD/Index Name]
(2S,3R)-3-hydroxyoctadecan-2-aminium
1-deoxySa
1-deoxysphinganine
1-deoxysphinganine(1+)
1-deoxy-sphinganine(1+)
1-deoxysphinganinium
More...
  • Miscellaneous

    • Chemical Class:

      A cationic sphingoid obtained by protonation of the amino group of 1-deoxysphinganine; major species at pH 7.3. ChEBI CHEBI:67109

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

Density:
Boiling Point: 405.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.9±6.0 kJ/mol
Flash Point: 198.9±21.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 31.95
ACD/KOC (pH 5.5): 54.89
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 73.29
ACD/KOC (pH 7.4): 125.93
Polar Surface Area: 48 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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