ChemSpider 2D Image | (3aR,4S,5R,6R,7S,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrayl tetraacetate | C20H28O10

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

  • Molecular FormulaC20H28O10
  • Average mass428.430 Da
  • Monoisotopic mass428.168243 Da
  • ChemSpider ID57558224

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3aR,4S,5R,6R,7S,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrayl tetraacetate [ACD/IUPAC Name]
(3aR,4S,5R,6R,7S,7aS)-Hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
Spiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol, hexahydro-, tetraacetate, (3aR,4S,5R,6R,7S,7aS)- [ACD/Index Name]
Tetraacétate de (3aR,4S,5R,6R,7S,7aS)-hexahydrospiro[1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tétrayle [French] [ACD/IUPAC Name]
1,2-Cyclohexylidene Tetra-O-acetyl myo-Inositol
39110-61-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 209.3±28.8 °C
Index of Refraction: 1.515
Molar Refractivity: 99.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.02
ACD/KOC (pH 5.5): 1516.51
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.02
ACD/KOC (pH 7.4): 1516.51
Polar Surface Area: 124 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 329.2±5.0 cm3

Click to predict properties on the Chemicalize site


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