ChemSpider 2D Image | (1R,2R,3S,4R,5S)-5-(Hydroxymethyl)-1,2,3,4-cyclohexanetetrol | C7H14O5

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

  • Molecular FormulaC7H14O5
  • Average mass178.183 Da
  • Monoisotopic mass178.084122 Da
  • ChemSpider ID61285537

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,3S,4R,5S)-5-(Hydroxymethyl)-1,2,3,4-cyclohexanetetrol [ACD/IUPAC Name]
(1R,2R,3S,4R,5S)-5-(Hydroxyméthyl)-1,2,3,4-cyclohexanetétrol [French] [ACD/IUPAC Name]
(1R,2R,3S,4R,5S)-5-(Hydroxymethyl)-1,2,3,4-cyclohexantetrol [German] [ACD/IUPAC Name]
1,2,3,4-Cyclohexanetetrol, 5-(hydroxymethyl)-, (1R,2R,3S,4R,5S)- [ACD/Index Name]
97372-28-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 338.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.3±6.0 kJ/mol
Flash Point: 169.8±22.5 °C
Index of Refraction: 1.631
Molar Refractivity: 40.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.11
Polar Surface Area: 101 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 113.0±3.0 cm3

Click to predict properties on the Chemicalize site


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