ChemSpider 2D Image | 3,7-Dihydroxy-1-methyl-6-oxo-6H-benzo[c]chromen-9-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C26H30O15

3,7-Dihydroxy-1-methyl-6-oxo-6H-benzo[c]chromen-9-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC26H30O15
  • Average mass582.507 Da
  • Monoisotopic mass582.158447 Da
  • ChemSpider ID107444545

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3,7-Dihydroxy-1-methyl-6-oxo-6H-benzo[c]chromen-9-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
3,7-Dihydroxy-1-methyl-6-oxo-6H-benzo[c]chromen-9-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-6-one, 9-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3,7-dihydroxy-1-methyl- [ACD/Index Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 3,7-dihydroxy-1-méthyl-6-oxo-6H-benzo[c]chromén-9-yle [French] [ACD/IUPAC Name]
1779520-65-8 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 975.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.9±3.0 kJ/mol
Flash Point: 325.8±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 132.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.65
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.01
Polar Surface Area: 245 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 117.8±5.0 dyne/cm
Molar Volume: 327.4±5.0 cm3

Click to predict properties on the Chemicalize site


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