ChemSpider 2D Image | 8-(D-Arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-6-yl D-glucopyranoside | C28H32O18

8-(D-Arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-6-yl D-glucopyranoside

  • Molecular FormulaC28H32O18
  • Average mass656.543 Da
  • Monoisotopic mass656.158875 Da
  • ChemSpider ID129170905

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 8-(D-arabinofuranosyloxy)-6-(D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)- [ACD/Index Name]
8-(D-Arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-6-yl D-glucopyranoside [ACD/IUPAC Name]
8-(D-Arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-6-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 8-(D-arabinofuranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-diméthoxyphényl)-4-oxo-4H-chromén-6-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: 1068.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.0±3.0 kJ/mol
Flash Point: 348.2±27.8 °C
Index of Refraction: 1.705
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.67
ACD/LogD (pH 5.5): -3.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 97.1±3.0 dyne/cm
Molar Volume: 382.0±3.0 cm3

Click to predict properties on the Chemicalize site


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