ChemSpider 2D Image | (2S,3S)-2-Amino-3-(1,1,1-~2~H_3_)octadecanol | C18H36D3NO

(2S,3S)-2-Amino-3-(1,1,1-2H3)octadecanol

  • Molecular FormulaC18H36D3NO
  • Average mass288.527 Da
  • Monoisotopic mass288.321991 Da
  • ChemSpider ID62876088

  • 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,3S)-2-Amino-3-(1,1,1-2H3)octadecanol [German] [ACD/IUPAC Name]
(2S,3S)-2-Amino-3-(1,1,1-2H3)octadecanol [ACD/IUPAC Name]
(2S,3S)-2-Amino-3-(1,1,1-2H3)octadécanol [French] [ACD/IUPAC Name]
3-Octadecan-1,1,1-d3-ol, 2-amino-, (2S,3S)- [ACD/Index Name]
1246298-32-7 [RN]
1-deoxy-L-threo-sphinganine-d3

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

Density: 0.9±0.1 g/cm3
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: 1.464
Molar Refractivity: 90.4±0.3 cm3
#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: 46 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 327.6±3.0 cm3

Click to predict properties on the Chemicalize site


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