ChemSpider 2D Image | 5-Hydroxy-6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-beta-D-lyxopyranosyl-beta-D-glucopyranoside | C28H32O15

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

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID8230001

  • 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-7-[(6-O-β-D-lyxopyranosyl-β-D-glucopyranosyl)oxy]-6-methoxy-3-(4-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-β-D-lyxopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-6-methoxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-β-D-lyxopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Lyxopyranosyl-β-D-glucopyranoside de 5-hydroxy-6-méthoxy-3-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC 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: 902.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.4±3.0 kJ/mol
Flash Point: 296.9±27.8 °C
Index of Refraction: 1.693
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.82
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 223 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 94.4±5.0 dyne/cm
Molar Volume: 370.0±5.0 cm3

Click to predict properties on the Chemicalize site


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