ChemSpider 2D Image | Methyl (2S,4aS,6aR,9R,10aS,10bS)-2-(3-furyl)-9-(beta-D-glucopyranosyloxy)-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate | C27H36O11

Methyl (2S,4aS,6aR,9R,10aS,10bS)-2-(3-furyl)-9-(β-D-glucopyranosyloxy)-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate

  • Molecular FormulaC27H36O11
  • Average mass536.568 Da
  • Monoisotopic mass536.225769 Da
  • ChemSpider ID22913391

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2S,4aS,6aR,9R,10aS,10bS)-2-(3-Furyl)-9-(β-D-glucopyranosyloxy)-6a,10b-diméthyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-décahydro-2H-benzo[f]isochromène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-9-(β-D-glucopyranosyloxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-6a,10b-dimethyl-4-oxo-, methyl ester, (2S,4aS,6aR,9R,10aS,10bS)- [ACD/Index Name]
Methyl (2S,4aS,6aR,9R,10aS,10bS)-2-(3-furyl)-9-(β-D-glucopyranosyloxy)-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate [ACD/IUPAC Name]
Methyl-(2S,4aS,6aR,9R,10aS,10bS)-2-(3-furyl)-9-(β-D-glucopyranosyloxy)-6a,10b-dimethyl-4-oxo-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromen-7-carboxylat [German] [ACD/IUPAC Name]
102907-33-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.6±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 47.02
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.52
ACD/KOC (pH 7.4): 47.02
Polar Surface Area: 165 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

Click to predict properties on the Chemicalize site


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