ChemSpider 2D Image | 6,9-Dihydroxy-3-methoxy-6-methyl-8-oxo-5,6,7,8-tetrahydro-1-anthracenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C28H36O15

6,9-Dihydroxy-3-methoxy-6-methyl-8-oxo-5,6,7,8-tetrahydro-1-anthracenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC28H36O15
  • Average mass612.576 Da
  • Monoisotopic mass612.205444 Da
  • ChemSpider ID82827001

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

1(2H)-Anthracenone, 8-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,4-dihydro-3,9-dihydroxy-6-methoxy-3-methyl- [ACD/Index Name]
6,9-Dihydroxy-3-methoxy-6-methyl-8-oxo-5,6,7,8-tetrahydro-1-anthracenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
6,9-Dihydroxy-3-methoxy-6-methyl-8-oxo-5,6,7,8-tetrahydro-1-anthracenyl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 6,9-dihydroxy-3-méthoxy-6-méthyl-8-oxo-5,6,7,8-tétrahydro-1-anthracényle [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: 950.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.0±3.0 kJ/mol
Flash Point: 311.6±27.8 °C
Index of Refraction: 1.713
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.32
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 245 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 103.0±5.0 dyne/cm
Molar Volume: 367.3±5.0 cm3

Click to predict properties on the Chemicalize site


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