ChemSpider 2D Image | (1R)-1-[(2S,3R)-1-Benzyl-3-hydroxy-2-azetidinyl]-1,2-ethanediol | C12H17NO3

(1R)-1-[(2S,3R)-1-Benzyl-3-hydroxy-2-azetidinyl]-1,2-ethanediol

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID30656954

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R)-1-[(2S,3R)-1-Benzyl-3-hydroxy-2-azetidinyl]-1,2-ethandiol [German] [ACD/IUPAC Name]
(1R)-1-[(2S,3R)-1-Benzyl-3-hydroxy-2-azetidinyl]-1,2-ethanediol [ACD/IUPAC Name]
(1R)-1-[(2S,3R)-1-Benzyl-3-hydroxy-2-azétidinyl]-1,2-éthanediol [French] [ACD/IUPAC Name]
1,2-Ethanediol, 1-[(2S,3R)-3-hydroxy-1-(phenylmethyl)-2-azetidinyl]-, (1R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 424.6±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 243.5±27.1 °C
Index of Refraction: 1.639
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.96
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.17
ACD/KOC (pH 7.4): 37.17
Polar Surface Area: 64 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 167.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement