ChemSpider 2D Image | (2S,3S)-1,2,3-Butanetriol | C4H10O3

(2S,3S)-1,2,3-Butanetriol

  • Molecular FormulaC4H10O3
  • Average mass106.120 Da
  • Monoisotopic mass106.062996 Da
  • ChemSpider ID52084853

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-1,2,3-Butanetriol [ACD/IUPAC Name]
(2S,3S)-1,2,3-Butanetriol [French] [ACD/IUPAC Name]
(2S,3S)-1,2,3-Butantriol [German] [ACD/IUPAC Name]
1,2,3-Butanetriol, (2S,3S)- [ACD/Index Name]
122920-28-9 [RN]
61913-75-5 [RN]

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

872E9P2Q4P [DBID]
UNII:872E9P2Q4P [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 281.8±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.4±6.0 kJ/mol
Flash Point: 145.8±16.4 °C
Index of Refraction: 1.483
Molar Refractivity: 25.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.97
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.22
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.22
Polar Surface Area: 61 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 87.8±3.0 cm3

Click to predict properties on the Chemicalize site


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