ChemSpider 2D Image | 7-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C28H32O14

7-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID10197316

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-methoxy-2-(4-methoxyphenyl)-5-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 7-méthoxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
7-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
7-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
[221257-06-3] [RN]
221257-06-3 [RN]
7,4'-Di-O-methylapigenin 5-O-xylosylglucoside
7-methoxy-2-(4-methoxyphenyl)-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-yloxy)methyl)-tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL451605/
MFCD20274945

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

Density: 1.6±0.1 g/cm3
Boiling Point: 878.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.8±3.0 kJ/mol
Flash Point: 290.1±27.8 °C
Index of Refraction: 1.676
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.66
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.66
Polar Surface Area: 203 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 86.4±5.0 dyne/cm
Molar Volume: 373.3±5.0 cm3

Click to predict properties on the Chemicalize site


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