ChemSpider 2D Image | Urolithin A-8-O-glucuronide | C19H16O10

Urolithin A-8-O-glucuronide

  • Molecular FormulaC19H16O10
  • Average mass404.324 Da
  • Monoisotopic mass404.074341 Da
  • ChemSpider ID30778515

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6H-Dibenzo[b,d]pyran-6-one, 3-(β-L-glucopyranuronosyloxy)-8-hydroxy- [ACD/Index Name]
8-Hydroxy-6-oxo-6H-benzo[c]chromen-3-yl β-L-glucopyranosiduronic acid [ACD/IUPAC Name]
8-Hydroxy-6-oxo-6H-benzo[c]chromen-3-yl-β-L-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-L-glucopyranosiduronique de 8-hydroxy-6-oxo-6H-benzo[c]chromén-3-yle [French] [ACD/IUPAC Name]
Urolithin A-8-O-glucuronide
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid
(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({8-hydroxy-6-oxobenzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid

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: 1.7±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: 0.00
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
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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