ChemSpider 2D Image | isorhamnetin 3-O-beta-L-glucopyranoside | C22H22O12

isorhamnetin 3-O-β-L-glucopyranoside

  • Molecular FormulaC22H22O12
  • Average mass478.403 Da
  • Monoisotopic mass478.111115 Da
  • ChemSpider ID30785686

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-(β-L-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl β-L-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
isorhamnetin 3-O-β-L-glucopyranoside
β-L-Glucopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 834.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 291.3±27.8 °C
Index of Refraction: 1.750
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.44
ACD/KOC (pH 5.5): 41.72
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 196 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 112.5±5.0 dyne/cm
Molar Volume: 272.0±5.0 cm3

Click to predict properties on the Chemicalize site


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