ChemSpider 2D Image | 1,8-Dihydroxy-4,5-dimethoxy-9-oxo-9H-xanthen-3-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C26H30O16

1,8-Dihydroxy-4,5-dimethoxy-9-oxo-9H-xanthen-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC26H30O16
  • Average mass598.507 Da
  • Monoisotopic mass598.153381 Da
  • ChemSpider ID30819955

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1,8-Dihydroxy-4,5-dimethoxy-9-oxo-9H-xanthen-3-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
1,8-Dihydroxy-4,5-dimethoxy-9-oxo-9H-xanthen-3-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 1,8-dihydroxy-4,5-diméthoxy-9-oxo-9H-xanthén-3-yle [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,8-dihydroxy-4,5-dimethoxy-3-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index 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: 974.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.7±3.0 kJ/mol
Flash Point: 324.2±27.8 °C
Index of Refraction: 1.719
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.13
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 109.3±5.0 dyne/cm
Molar Volume: 341.0±5.0 cm3

Click to predict properties on the Chemicalize site


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