ChemSpider 2D Image | 3D-3,5/4-trihydroxycyclohexane-1,2-dione | C6H8O5

3D-3,5/4-trihydroxycyclohexane-1,2-dione

  • Molecular FormulaC6H8O5
  • Average mass160.125 Da
  • Monoisotopic mass160.037170 Da
  • ChemSpider ID21864913

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexandion [German] [ACD/IUPAC Name]
(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione [ACD/IUPAC Name]
(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione [French] [ACD/IUPAC Name]
1,2-Cyclohexanedione, 3,4,5-trihydroxy-, (3R,4S,5R)- [ACD/Index Name]
3D-3,5/4-trihydroxycyclohexane-1,2-dione
949461-91-0 [RN]
(3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione
(3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione|THcHDO|3,5/4-trihydroxycyclohexa-1,2-dione|D-2,3-diketo-4-deoxy-epi-inositol
3,5/4-Trihydroxycyclohexa-1,2-dione
3199845 [Beilstein]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 345.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 177.1±24.4 °C
Index of Refraction: 1.643
Molar Refractivity: 32.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.85
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.33
Polar Surface Area: 95 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 114.8±3.0 dyne/cm
Molar Volume: 90.4±3.0 cm3

Click to predict properties on the Chemicalize site


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