ChemSpider 2D Image | (3R,4S,5R)-3,4,5-Trihydroxy-6-oxo-1-cyclohexen-1-olate | C6H7O5

(3R,4S,5R)-3,4,5-Trihydroxy-6-oxo-1-cyclohexen-1-olate

  • Molecular FormulaC6H7O5
  • Average mass159.117 Da
  • Monoisotopic mass159.029892 Da
  • ChemSpider ID26331305

  • Charge - Charge

    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-6-oxo-1-cyclohexen-1-olat [German] [ACD/IUPAC Name]
(3R,4S,5R)-3,4,5-Trihydroxy-6-oxo-1-cyclohexen-1-olate [ACD/IUPAC Name]
(3R,4S,5R)-3,4,5-Trihydroxy-6-oxo-1-cyclohexén-1-olate [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 2,4,5,6-tetrahydroxy-, ion(1-), (4R,5S,6R)- [ACD/Index Name]
(3R,4S,5R)-3,4,5-trihydroxy-6-oxocyclohex-1-en-1-olate
D-2,3-diketo-4-deoxy-epi-inositol

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

5013309 [DBID]

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

Density:
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:
Molar Refractivity:
#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: 101 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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