ChemSpider 2D Image | 4-[8-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-3-methoxy-6-methyl-4-oxo-4H-chromen-2-yl]phenyl beta-D-glucopyranoside | C29H34O17

4-[8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-3-methoxy-6-methyl-4-oxo-4H-chromen-2-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC29H34O17
  • Average mass654.570 Da
  • Monoisotopic mass654.179626 Da
  • ChemSpider ID31145760

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-[8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-3-methoxy-6-methyl-4-oxo-4H-chromen-2-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-3-methoxy-6-methyl-4-oxo-4H-chromen-2-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-3-methoxy-6-methyl- [ACD/Index Name]
β-D-Glucopyranoside de 4-[8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-3-méthoxy-6-méthyl-4-oxo-4H-chromén-2-yl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1003.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.4±3.0 kJ/mol
Flash Point: 326.0±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.36
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.13
ACD/LogD (pH 7.4): -3.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 275 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 114.8±5.0 dyne/cm
Molar Volume: 371.7±5.0 cm3

Click to predict properties on the Chemicalize site


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