ChemSpider 2D Image | 10-Hydroxy-5,7-dimethoxy-3-methyl-1-oxo-1H-benzo[g]isochromen-9-yl 6-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside | C28H34O16

10-Hydroxy-5,7-dimethoxy-3-methyl-1-oxo-1H-benzo[g]isochromen-9-yl 6-O-α-D-glucopyranosyl-α-D-glucopyranoside

  • Molecular FormulaC28H34O16
  • Average mass626.560 Da
  • Monoisotopic mass626.184692 Da
  • ChemSpider ID28520228

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

10-Hydroxy-5,7-dimethoxy-3-methyl-1-oxo-1H-benzo[g]isochromen-9-yl 6-O-α-D-glucopyranosyl-α-D-glucopyranoside [ACD/IUPAC Name]
10-Hydroxy-5,7-dimethoxy-3-methyl-1-oxo-1H-benzo[g]isochromen-9-yl-6-O-α-D-glucopyranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
1H-Naphtho[2,3-c]pyran-1-one, 9-[(6-O-α-D-glucopyranosyl-α-D-glucopyranosyl)oxy]-10-hydroxy-5,7-dimethoxy-3-methyl- [ACD/Index Name]
6-O-α-D-Glucopyranosyl-α-D-glucopyranoside de 10-hydroxy-5,7-diméthoxy-3-méthyl-1-oxo-1H-benzo[g]isochromén-9-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 974.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 319.2±27.8 °C
Index of Refraction: 1.706
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.47
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.84
Polar Surface Area: 244 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 98.7±5.0 dyne/cm
Molar Volume: 374.3±5.0 cm3

Click to predict properties on the Chemicalize site


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