ChemSpider 2D Image | 2-(3,5-Dihydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside | C27H30O11

2-(3,5-Dihydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC27H30O11
  • Average mass530.521 Da
  • Monoisotopic mass530.178833 Da
  • ChemSpider ID20100508

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(3,5-Dihydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,5-Dihydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-7-(β-D-glucopyranosyloxy)-6-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-7-(β-D-glucopyranosyloxy)-6-(3-methyl-2-butenyl)-
β-D-Glucopyranoside de 2-(3,5-dihydroxy-4-méthoxyphényl)-6-(3-méthyl-2-butén-1-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
115516-53-5 [RN]
Wushanicariin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 815.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 272.6±27.8 °C
Index of Refraction: 1.658
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.69
ACD/KOC (pH 5.5): 176.86
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.62
ACD/KOC (pH 7.4): 175.61
Polar Surface Area: 175 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 363.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement