ChemSpider 2D Image | 7,8-Dihydroxy-3-methoxy-9-oxo-9H-xanthen-1-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C25H28O15

7,8-Dihydroxy-3-methoxy-9-oxo-9H-xanthen-1-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC25H28O15
  • Average mass568.481 Da
  • Monoisotopic mass568.142822 Da
  • ChemSpider ID24693954

  • 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 7,8-dihydroxy-3-méthoxy-9-oxo-9H-xanthén-1-yle [French] [ACD/IUPAC Name]
7,8-Dihydroxy-3-methoxy-9-oxo-9H-xanthen-1-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
7,8-Dihydroxy-3-methoxy-9-oxo-9H-xanthen-1-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,2-dihydroxy-6-methoxy-8-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL468999/

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

Density: 1.8±0.1 g/cm3
Boiling Point: 934.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.4±3.0 kJ/mol
Flash Point: 314.9±27.8 °C
Index of Refraction: 1.735
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.55
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.17
Polar Surface Area: 234 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 114.1±5.0 dyne/cm
Molar Volume: 319.5±5.0 cm3

Click to predict properties on the Chemicalize site


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