ChemSpider 2D Image | (2R,3S)-4-Amino-1,2,3-butanetriol | C4H11NO3

(2R,3S)-4-Amino-1,2,3-butanetriol

  • Molecular FormulaC4H11NO3
  • Average mass121.135 Da
  • Monoisotopic mass121.073891 Da
  • ChemSpider ID32978617

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-4-Amino-1,2,3-butanetriol [ACD/IUPAC Name]
(2R,3S)-4-Amino-1,2,3-butanetriol [French] [ACD/IUPAC Name]
(2R,3S)-4-Amino-1,2,3-butantriol [German] [ACD/IUPAC Name]
1,2,3-Butanetriol, 4-amino-, (2R,3S)- [ACD/Index Name]
6207-16-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 357.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.7±6.0 kJ/mol
Flash Point: 169.7±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 28.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.31
ACD/LogD (pH 5.5): -5.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 11.4±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 91.5±3.0 cm3

Click to predict properties on the Chemicalize site


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