ChemSpider 2D Image | 3,5,8-Trimethoxy-9-oxo-9H-xanthen-1-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C27H32O15

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

  • Molecular FormulaC27H32O15
  • Average mass596.534 Da
  • Monoisotopic mass596.174133 Da
  • ChemSpider ID30819953

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

3,5,8-Trimethoxy-9-oxo-9H-xanthen-1-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
3,5,8-Trimethoxy-9-oxo-9H-xanthen-1-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 3,5,8-triméthoxy-9-oxo-9H-xanthén-1-yle [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 3,5,8-trimethoxy-1-[(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: 1.6±0.1 g/cm3
Boiling Point: 897.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.6±3.0 kJ/mol
Flash Point: 297.0±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.84
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.82
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.82
Polar Surface Area: 212 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 88.2±5.0 dyne/cm
Molar Volume: 369.1±5.0 cm3

Click to predict properties on the Chemicalize site


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