ChemSpider 2D Image | 2-(4-Hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-galactopyranoside | C29H34O16

2-(4-Hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID8524607

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(4-Hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-3-yl 2-O-β-D-glucopyranosyl-β-D-galactopyranoside [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)-6,7-dimethoxy-4-oxo-4H-chromen-3-yl-2-O-β-D-glucopyranosyl-β-D-galactopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-galactopyranoside de 2-(4-hydroxyphényl)-6,7-diméthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-2-(4-hydroxyphenyl)-6,7-dimethoxy- [ACD/Index 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: 952.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.3±3.0 kJ/mol
Flash Point: 310.2±27.8 °C
Index of Refraction: 1.696
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.80
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.79
Polar Surface Area: 244 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 97.3±5.0 dyne/cm
Molar Volume: 384.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement