ChemSpider 2D Image | (3S,3aR,4S,8R,9S,9aR,9bR)-8-Hydroxy-3,9-dimethyl-6-methylene-2-oxododecahydroazuleno[4,5-b]furan-4-yl beta-D-glucopyranoside | C21H32O9

(3S,3aR,4S,8R,9S,9aR,9bR)-8-Hydroxy-3,9-dimethyl-6-methylene-2-oxododecahydroazuleno[4,5-b]furan-4-yl β-D-glucopyranoside

  • Molecular FormulaC21H32O9
  • Average mass428.473 Da
  • Monoisotopic mass428.204620 Da
  • ChemSpider ID26639688

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3S,3aR,4S,8R,9S,9aR,9bR)-8-Hydroxy-3,9-dimethyl-6-methylen-2-oxododecahydroazuleno[4,5-b]furan-4-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3S,3aR,4S,8R,9S,9aR,9bR)-8-Hydroxy-3,9-dimethyl-6-methylene-2-oxododecahydroazuleno[4,5-b]furan-4-yl β-D-glucopyranoside [ACD/IUPAC Name]
Azuleno[4,5-b]furan-2(3H)-one, 4-(β-D-glucopyranosyloxy)decahydro-8-hydroxy-3,9-dimethyl-6-methylene-, (3S,3aR,4S,8R,9S,9aR,9bR)- [ACD/Index Name]
β-D-Glucopyranoside de (3S,3aR,4S,8R,9S,9aR,9bR)-8-hydroxy-3,9-diméthyl-6-méthylène-2-oxododécahydroazuléno[4,5-b]furan-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 233.6±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -1.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.08
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.08
Polar Surface Area: 146 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 303.4±5.0 cm3

Click to predict properties on the Chemicalize site


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