ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C29H34O15

2-(3,4-Dimethoxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC29H34O15
  • Average mass622.571 Da
  • Monoisotopic mass622.189758 Da
  • ChemSpider ID8569565

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-(3,4-Dimethoxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-7-methoxy-5-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 2-(3,4-diméthoxyphényl)-7-méthoxy-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
[221289-31-2] [RN]
221289-31-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL442846/
Lethedioside A
MFCD20274951

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

Density: 1.6±0.1 g/cm3
Boiling Point: 890.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 290.5±27.8 °C
Index of Refraction: 1.666
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.25
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.24
Polar Surface Area: 212 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 394.8±5.0 cm3

Click to predict properties on the Chemicalize site


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