ChemSpider 2D Image | (2S,3R,5R)-2-Amino-3,5-octadecanediol | C18H39NO2

(2S,3R,5R)-2-Amino-3,5-octadecanediol

  • Molecular FormulaC18H39NO2
  • Average mass301.508 Da
  • Monoisotopic mass301.298065 Da
  • ChemSpider ID28494855
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2S,3R,5R)-2-Amino-3,5-octadecandiol [German] [ACD/IUPAC Name]
(2S,3R,5R)-2-Amino-3,5-octadecanediol [ACD/IUPAC Name]
(2S,3R,5R)-2-Amino-3,5-octadécanediol [French] [ACD/IUPAC Name]
3,5-Octadecanediol, 2-amino-, (2S,3R,5R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 441.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 220.9±24.6 °C
Index of Refraction: 1.477
Molar Refractivity: 91.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 5.65
ACD/KOC (pH 5.5): 15.94
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 18.13
ACD/KOC (pH 7.4): 51.13
Polar Surface Area: 66 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 325.5±3.0 cm3

Click to predict properties on the Chemicalize site






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