ChemSpider 2D Image | (2S,3R,4R,5S,6R)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexanone | C7H12O6

(2S,3R,4R,5S,6R)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexanone

  • Molecular FormulaC7H12O6
  • Average mass192.167 Da
  • Monoisotopic mass192.063385 Da
  • ChemSpider ID110556061

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4R,5S,6R)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexanon [German] [ACD/IUPAC Name]
(2S,3R,4R,5S,6R)-2,3,4,6-Tetrahydroxy-5-methoxycyclohexanone [ACD/IUPAC Name]
(2S,3R,4R,5S,6R)-2,3,4,6-Tétrahydroxy-5-méthoxycyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 2,3,4,6-tetrahydroxy-5-methoxy-, (2S,3R,4R,5S,6R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 388.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.7±6.0 kJ/mol
Flash Point: 161.8±21.4 °C
Index of Refraction: 1.570
Molar Refractivity: 40.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.37
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.36
Polar Surface Area: 107 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 77.4±5.0 dyne/cm
Molar Volume: 122.7±5.0 cm3

Click to predict properties on the Chemicalize site


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