ChemSpider 2D Image | 3-Hydroxy-6-oxo-6H-benzo[c]chromen-8-yl beta-D-glucopyranosiduronic acid | C19H16O10

3-Hydroxy-6-oxo-6H-benzo[c]chromen-8-yl β-D-glucopyranosiduronic acid

  • Molecular FormulaC19H16O10
  • Average mass404.324 Da
  • Monoisotopic mass404.074341 Da
  • ChemSpider ID64808348

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Hydroxy-6-oxo-6H-benzo[c]chromen-8-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
3-Hydroxy-6-oxo-6H-benzo[c]chromen-8-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-6-one, 8-(β-D-glucopyranuronosyloxy)-3-hydroxy- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 3-hydroxy-6-oxo-6H-benzo[c]chromén-8-yle [French] [ACD/IUPAC Name]
1365982-52-0 [RN]
3-hydroxy-6-oxo-6H-dibenzo[b,d]pyran-8-yl β-D-glucopyranosiduronic acid
urolithin A 8-O-glucuronide
urolithin A 8-O-β-D-glucuronide
urolithin A 8-O-β-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: 796.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 289.6±26.4 °C
Index of Refraction: 1.731
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 101.0±3.0 dyne/cm
Molar Volume: 232.8±3.0 cm3

Click to predict properties on the Chemicalize site


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