ChemSpider 2D Image | 5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl beta-D-glucopyranosiduronic acid | C22H20O12

5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC22H20O12
  • Average mass476.387 Da
  • Monoisotopic mass476.095490 Da
  • ChemSpider ID35141825

  • 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, 2-[3-(β-D-glucopyranuronosyloxy)-4-methoxyphenyl]-5,7-dihydroxy- [ACD/Index Name]
5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 5-(5,7-dihydroxy-4-oxo-4H-chromén-2-yl)-2-méthoxyphényle [French] [ACD/IUPAC Name]
1101132-48-2 [RN]
152503-50-9 [RN]
5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl-D-glucopyranosiduronic acid
Diosmetin 3'-O-β-D-glucuronide
Diosmetin 3'-O-β-D-glucuronide, Min.
Diosmetin-3-O-glucuronide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 822.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.4±3.0 kJ/mol
Flash Point: 288.1±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -2.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 95.3±3.0 dyne/cm
Molar Volume: 280.9±3.0 cm3

Click to predict properties on the Chemicalize site


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