ChemSpider 2D Image | (1R,2R,3R,4S,5R,6R)-6-(Hydroxymethyl)-1,2,3,4,5-cyclohexanepentol | C7H14O6

(1R,2R,3R,4S,5R,6R)-6-(Hydroxymethyl)-1,2,3,4,5-cyclohexanepentol

  • Molecular FormulaC7H14O6
  • Average mass194.182 Da
  • Monoisotopic mass194.079041 Da
  • ChemSpider ID61648525

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,3R,4S,5R,6R)-6-(Hydroxymethyl)-1,2,3,4,5-cyclohexanepentol [ACD/IUPAC Name]
(1R,2R,3R,4S,5R,6R)-6-(Hydroxyméthyl)-1,2,3,4,5-cyclohexanepentol [French] [ACD/IUPAC Name]
(1R,2R,3R,4S,5R,6R)-6-(Hydroxymethyl)-1,2,3,4,5-cyclohexanpentol [German] [ACD/IUPAC Name]
1,2,3,4,5-Cyclohexanepentol, 6-(hydroxymethyl)-, (1α,2α,3β,4α,5β,6α)- [ACD/Index Name]
86853-30-7 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 369.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.3±6.0 kJ/mol
Flash Point: 186.9±22.5 °C
Index of Refraction: 1.686
Molar Refractivity: 41.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.03
ACD/LogD (pH 5.5): -2.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.62
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 121 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 86.1±3.0 dyne/cm
Molar Volume: 110.0±3.0 cm3

Click to predict properties on the Chemicalize site


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