ChemSpider 2D Image | (4S,5R,6S)-2,4,5,6-Tetrahydroxy-2-cyclohexen-1-one | C6H8O5

(4S,5R,6S)-2,4,5,6-Tetrahydroxy-2-cyclohexen-1-one

  • Molecular FormulaC6H8O5
  • Average mass160.125 Da
  • Monoisotopic mass160.037170 Da
  • ChemSpider ID24203171

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,5R,6S)-2,4,5,6-Tetrahydroxy-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4S,5R,6S)-2,4,5,6-Tetrahydroxy-2-cyclohexen-1-one [ACD/IUPAC Name]
(4S,5R,6S)-2,4,5,6-Tétrahydroxy-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2,4,5,6-tetrahydroxy-, (4S,5R,6S)- [ACD/Index Name]
(4S,5R,6S)-2,4,5,6-tetrahydroxycyclohex-2-enone
2-Cyclohexen-1-one, 2,4,5,6-tetrahydroxy-, [4S-(4α,5β,6α)]- (9CI)
3671-24-7 [RN]
76831-86-2 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 432.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 229.3±25.2 °C
Index of Refraction: 1.758
Molar Refractivity: 33.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.73
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.14
Polar Surface Area: 98 Å2
Polarizability: 13.4±0.5 10-24cm3
Surface Tension: 158.6±3.0 dyne/cm
Molar Volume: 82.2±3.0 cm3

Click to predict properties on the Chemicalize site


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