ChemSpider 2D Image | xestoaminol C | C14H31NO

xestoaminol C

  • Molecular FormulaC14H31NO
  • Average mass229.402 Da
  • Monoisotopic mass229.240570 Da
  • ChemSpider ID23339950

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-Amino-3-tetradecanol [German] [ACD/IUPAC Name]
(2S,3R)-2-Amino-3-tetradecanol [ACD/IUPAC Name]
(2S,3R)-2-Amino-3-tétradécanol [French] [ACD/IUPAC Name]
1-deoxytetradecasphinganine
3-Tetradecanol, 2-amino-, (2S,3R)- [ACD/Index Name]
xestoaminol C
(2S*)-Aminotetradeca-(3R*)-ol
(2S,3R)-2-aminotetradecan-3-ol
1-deoxy-tetradecasphinganine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448146/

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 345.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 162.9±20.4 °C
Index of Refraction: 1.462
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 6.83
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 15.64
Polar Surface Area: 46 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 261.6±3.0 cm3

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