ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside | C27H30O15

5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID58805185

  • 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, 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 5-hydroxy-3-(4-hydroxyphényl)-6-méthoxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
231288-19-0 [RN]
5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
6"-O-xylosyltectoridin
Tectorigenin 7-O-Xylosylglucoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 929.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 308.9±27.8 °C
Index of Refraction: 1.725
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.19
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 106.8±5.0 dyne/cm
Molar Volume: 345.2±5.0 cm3

Click to predict properties on the Chemicalize site


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