ChemSpider 2D Image | 7-[(6-Deoxyhexopyranosyl)oxy]-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl hexopyranoside | C29H34O16

7-[(6-Deoxyhexopyranosyl)oxy]-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl hexopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID57487540

More details:

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

4H-1-Benzopyran-4-one, 7-[(6-deoxyhexopyranosyl)oxy]-2-(3,4-dimethoxyphenyl)-3-(hexopyranosyloxy)-5-hydroxy- [ACD/Index Name]
7-[(6-Deoxyhexopyranosyl)oxy]-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl hexopyranoside [ACD/IUPAC Name]
7-[(6-Desoxyhexopyranosyl)oxy]-2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-ylhexopyranosid [German] [ACD/IUPAC Name]
Hexopyranoside de 7-[(6-désoxyhexopyranosyl)oxy]-2-(3,4-diméthoxyphényl)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
BRASSIDIN

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

Density: 1.7±0.1 g/cm3
Boiling Point: 937.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 305.3±27.8 °C
Index of Refraction: 1.697
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.50
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 97.2±5.0 dyne/cm
Molar Volume: 383.7±5.0 cm3

Click to predict properties on the Chemicalize site


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