ChemSpider 2D Image | Urolithin B 3-O-glucuronide | C19H16O9

Urolithin B 3-O-glucuronide

  • Molecular FormulaC19H16O9
  • Average mass388.325 Da
  • Monoisotopic mass388.079437 Da
  • ChemSpider ID30777654

  • 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-D-glucopyranuronosyloxy)- [ACD/Index Name]
6-Oxo-6H-benzo[c]chromen-3-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
6-Oxo-6H-benzo[c]chromen-3-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 6-oxo-6H-benzo[c]chromén-3-yle [French] [ACD/IUPAC Name]
Urolithin B 3-O-glucuronide
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({6-oxobenzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid
823806-74-2 [RN]

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: 719.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 263.1±26.4 °C
Index of Refraction: 1.705
Molar Refractivity: 91.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 90.5±3.0 dyne/cm
Molar Volume: 234.4±3.0 cm3

Click to predict properties on the Chemicalize site


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