ChemSpider 2D Image | 1,2,3,4-Tetra-O-acetyl-6-O-[(3aR,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan-2-yl]-beta-D-glucopyranose | C30H46O11

1,2,3,4-Tetra-O-acetyl-6-O-[(3aR,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan-2-yl]-β-D-glucopyranose

  • Molecular FormulaC30H46O11
  • Average mass582.680 Da
  • Monoisotopic mass582.304016 Da
  • ChemSpider ID9083279

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

1,2,3,4-Tetra-O-acetyl-6-O-[(3aR,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan-2-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1,2,3,4-Tetra-O-acetyl-6-O-[(3aR,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-b]furan-2-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1,2,3,4-Tétra-O-acétyl-6-O-[(3aR,9aS,9bR)-3a,6,6,9a-tétraméthyldodécahydronaphto[2,1-b]furan-2-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 6-O-[(3aR,9aS,9bR)-dodecahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2-yl]-, tetraacetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 596.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 246.5±30.2 °C
Index of Refraction: 1.518
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12815.38
ACD/KOC (pH 5.5): 30332.11
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12815.38
ACD/KOC (pH 7.4): 30332.11
Polar Surface Area: 133 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 479.2±5.0 cm3

Click to predict properties on the Chemicalize site


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