Found 1 result

Search term: 8968328 (Found by CSID)
ChemSpider 2D Image | 3-(3,4-Dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside | C28H34O12

3-(3,4-Dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC28H34O12
  • Average mass562.562 Da
  • Monoisotopic mass562.205017 Da
  • ChemSpider ID8968328

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-(3,4-Dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-(3,4-Dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(3,4-dimethoxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)- [ACD/Index Name]
β-D-Glucopyranoside de 3-(3,4-diméthoxyphényl)-5-hydroxy-8-(3-hydroxy-3-méthylbutyl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(3,4-dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
3-(3,4-dimethoxyphenyl)-5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 833.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 274.5±27.8 °C
Index of Refraction: 1.632
Molar Refractivity: 140.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 101.32
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.11
Polar Surface Area: 185 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 392.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement