ChemSpider 2D Image | (1R,2s,3S,4r)-1,2,3,4,5,6-Cyclohexanehexol | C6H12O6

(1R,2s,3S,4r)-1,2,3,4,5,6-Cyclohexanehexol

  • Molecular FormulaC6H12O6
  • Average mass180.156 Da
  • Monoisotopic mass180.063385 Da
  • ChemSpider ID32696449
  • defined stereocentres - 4 of 6 defined stereocentres


More details:






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

(1R,2s,3S,4r)-1,2,3,4,5,6-Cyclohexanehexol [ACD/IUPAC Name]
(1R,2s,3S,4r)-1,2,3,4,5,6-Cyclohexanehexol [French] [ACD/IUPAC Name]
(1R,2s,3S,4r)-1,2,3,4,5,6-Cyclohexanhexol [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, (1α,2α,3α,4β)- [ACD/Index Name]
201-781-2 [EINECS]
87-89-8 [RN]
i-Inositol
meso-Inositol
MFCD00077932 [MDL number]
More...

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

Density: 2.0±0.1 g/cm3
Boiling Point: 291.3±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: 143.4±21.9 °C
Index of Refraction: 1.784
Molar Refractivity: 37.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -2.11
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 101.6±3.0 dyne/cm
Molar Volume: 88.4±3.0 cm3

Click to predict properties on the Chemicalize site






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