ChemSpider 2D Image | (1R,2R,3r,4S,5S,6s)-1,2,3,4,5,6-(~2~H_6_)Cyclohexanehexol | C6H6D6O6

(1R,2R,3r,4S,5S,6s)-1,2,3,4,5,6-(2H6)Cyclohexanehexol

  • Molecular FormulaC6H6D6O6
  • Average mass186.193 Da
  • Monoisotopic mass186.101044 Da
  • ChemSpider ID24532667
  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(1R,2R,3r,4S,5S,6s)-(2H6)Cyclohexane-1,2,3,4,5,6-hexol
(1R,2R,3r,4S,5S,6s)-1,2,3,4,5,6-(2H6)Cyclohexanehexol [ACD/IUPAC Name]
(1R,2R,3r,4S,5S,6s)-1,2,3,4,5,6-(2H6)Cyclohexanehexol [French] [ACD/IUPAC Name]
(1R,2R,3r,4S,5S,6s)-1,2,3,4,5,6-(2H6)Cyclohexanhexol [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexane-d6-hexol, (1α,2α,3β,4α,5β,6β)- [ACD/Index Name]
1,2,3,4,5,6-Hexahydroxycyclohexane, meso-Inositol
68922-44-1 [RN]
myo-Inositol-1,2,3,4,5,6-d6
myo-Inositol-C-d6

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

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