ChemSpider 2D Image | (1S,2S,3R,4S,5S)-5-Bromo-1,2,3,4-cyclohexanetetrol | C6H11BrO4

(1S,2S,3R,4S,5S)-5-Bromo-1,2,3,4-cyclohexanetetrol

  • Molecular FormulaC6H11BrO4
  • Average mass227.053 Da
  • Monoisotopic mass225.984070 Da
  • ChemSpider ID29543231

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,3R,4S,5S)-5-Brom-1,2,3,4-cyclohexantetrol [German] [ACD/IUPAC Name]
(1S,2S,3R,4S,5S)-5-Bromo-1,2,3,4-cyclohexanetetrol [ACD/IUPAC Name]
(1S,2S,3R,4S,5S)-5-Bromo-1,2,3,4-cyclohexanetétrol [French] [ACD/IUPAC Name]
1,2,3,4-Cyclohexanetetrol, 5-bromo-, (1S,2S,3R,4S,5S)- [ACD/Index Name]
rel-(1S,2S,3R,4S,5S)-5-Bromocyclohexane-1,2,3,4-tetraol

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

Density: 2.1±0.1 g/cm3
Boiling Point: 323.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.5±6.0 kJ/mol
Flash Point: 149.3±27.9 °C
Index of Refraction: 1.695
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.49
ACD/LogD (pH 7.4): -1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.49
Polar Surface Area: 81 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 109.0±3.0 dyne/cm
Molar Volume: 108.8±3.0 cm3

Click to predict properties on the Chemicalize site


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