ChemSpider 2D Image | 7-Hydroxy-3,4,8-trimethoxy-9-oxo-9H-xanthen-1-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C27H32O16

7-Hydroxy-3,4,8-trimethoxy-9-oxo-9H-xanthen-1-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC27H32O16
  • Average mass612.533 Da
  • Monoisotopic mass612.169006 Da
  • ChemSpider ID30819950

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 7-hydroxy-3,4,8-triméthoxy-9-oxo-9H-xanthén-1-yle [French] [ACD/IUPAC Name]
7-Hydroxy-3,4,8-trimethoxy-9-oxo-9H-xanthen-1-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
7-Hydroxy-3,4,8-trimethoxy-9-oxo-9H-xanthen-1-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9H-Xanthen-9-one, 2-hydroxy-1,5,6-trimethoxy-8-[(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: 1.7±0.1 g/cm3
Boiling Point: 942.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 311.1±27.8 °C
Index of Refraction: 1.687
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.39
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.13
Polar Surface Area: 233 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 96.4±5.0 dyne/cm
Molar Volume: 365.8±5.0 cm3

Click to predict properties on the Chemicalize site


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