ChemSpider 2D Image | (1R,2R,3R,4R,5R,6R)-1,2,3,4,5,6-(1-~3~H)Cyclohexanehexol | C6H11TO6

(1R,2R,3R,4R,5R,6R)-1,2,3,4,5,6-(1-3H)Cyclohexanehexol

  • Molecular FormulaC6H11TO6
  • Average mass182.164 Da
  • Monoisotopic mass182.071609 Da
  • ChemSpider ID57267790
  • 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,4R,5R,6R)-1,2,3,4,5,6-(1-3H)Cyclohexanehexol [ACD/IUPAC Name]
(1R,2R,3R,4R,5R,6R)-1,2,3,4,5,6-(1-3H)Cyclohexanehexol [French] [ACD/IUPAC Name]
(1R,2R,3R,4R,5R,6R)-1,2,3,4,5,6-(1-3H)Cyclohexanhexol [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexane-1-t-hexol, (2α,3α,4α,5β,6β)- [ACD/Index Name]
D-ALLO-INOSITOL[3H]

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

Density:
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:
Molar Refractivity:
#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:
Surface Tension:
Molar Volume:

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