ChemSpider 2D Image | 2-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl 6-O-D-xylopyranosyl-beta-D-glucopyranoside | C27H30O14

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

  • Molecular FormulaC27H30O14
  • Average mass578.519 Da
  • Monoisotopic mass578.163574 Da
  • ChemSpider ID9653545

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl 6-O-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-5-yl-6-O-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(4-hydroxyphenyl)-7-methoxy-5-[(6-O-D-xylopyranosyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
6-O-D-Xylopyranosyl-β-D-glucopyranoside de 2-(4-hydroxyphényl)-7-méthoxy-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 906.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 301.9±27.8 °C
Index of Refraction: 1.706
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.70
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.98
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.96
Polar Surface Area: 214 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 97.4±5.0 dyne/cm
Molar Volume: 348.5±5.0 cm3

Click to predict properties on the Chemicalize site


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