ChemSpider 2D Image | (1R,4S,5R)-1,4,5-Trihydroxy-3-oxo(3-~13~C)cyclohexanecarboxylic acid | C613CH10O6

(1R,4S,5R)-1,4,5-Trihydroxy-3-oxo(3-13C)cyclohexanecarboxylic acid

  • Molecular FormulaC613CH10O6
  • Average mass191.143 Da
  • Monoisotopic mass191.051086 Da
  • ChemSpider ID9381360
  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,4S,5R)-1,4,5-Trihydroxy-3-oxo(3-13C)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,4S,5R)-1,4,5-Trihydroxy-3-oxo(3-13C)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,4S,5R)-1,4,5-trihydroxy-3-oxo(3-13C)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexane-3-13C-carboxylic acid, 1,4,5-trihydroxy-3-oxo-, (1R,4S,5R)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 38.6±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 15.3±0.5 10-24cm3
Surface Tension: 127.4±3.0 dyne/cm
Molar Volume: 104.6±3.0 cm3

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