ChemSpider 2D Image | (3aR,4R,5S,6R,7R,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol | C12H20O6

(3aR,4R,5S,6R,7R,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol

  • Molecular FormulaC12H20O6
  • Average mass260.284 Da
  • Monoisotopic mass260.125977 Da
  • ChemSpider ID62588006

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aR,4R,5S,6R,7R,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol [German] [ACD/IUPAC Name]
(3aR,4R,5S,6R,7R,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol [ACD/IUPAC Name]
(3aR,4R,5S,6R,7R,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tétrol [French] [ACD/IUPAC Name]
Spiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol, hexahydro-, (3aR,4R,5S,6R,7R,7aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 466.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.0±6.0 kJ/mol
Flash Point: 235.9±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 61.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.30
ACD/KOC (pH 5.5): 63.16
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.30
ACD/KOC (pH 7.4): 63.16
Polar Surface Area: 99 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 71.5±5.0 dyne/cm
Molar Volume: 177.1±5.0 cm3

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