ChemSpider 2D Image | (1S,2R,3S,6S)-6-Bromo-4-cyclohexene-1,2,3-triol | C6H9BrO3

(1S,2R,3S,6S)-6-Bromo-4-cyclohexene-1,2,3-triol

  • Molecular FormulaC6H9BrO3
  • Average mass209.038 Da
  • Monoisotopic mass207.973495 Da
  • ChemSpider ID61577594
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1S,2R,3S,6S)-6-Brom-4-cyclohexen-1,2,3-triol [German] [ACD/IUPAC Name]
(1S,2R,3S,6S)-6-Bromo-4-cyclohexene-1,2,3-triol [ACD/IUPAC Name]
(1S,2R,3S,6S)-6-Bromo-4-cyclohexène-1,2,3-triol [French] [ACD/IUPAC Name]
4-Cyclohexene-1,2,3-triol, 6-bromo-, (1S,2R,3S,6S)- [ACD/Index Name]
65024-86-4 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 291.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.6±6.0 kJ/mol
Flash Point: 130.1±27.3 °C
Index of Refraction: 1.683
Molar Refractivity: 39.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.77
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.77
Polar Surface Area: 61 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 90.5±3.0 dyne/cm
Molar Volume: 105.1±3.0 cm3

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