ChemSpider 2D Image | myricetin 5-O-glucuronide | C21H18O14

myricetin 5-O-glucuronide

  • Molecular FormulaC21H18O14
  • Average mass494.359 Da
  • Monoisotopic mass494.069641 Da
  • ChemSpider ID30785697

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-5-yl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
3,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-5-yl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranuronosyloxy)-3,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 3,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-5-yle [French] [ACD/IUPAC Name]
myricetin 5-O-glucuronide
myricetin 5-O-β-D-glucopyranosiduronic acid
myricetin 5-O-β-D-glucoronopyranoside

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1001.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.1±3.0 kJ/mol
Flash Point: 349.0±27.8 °C
Index of Refraction: 1.827
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -3.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 144.8±3.0 dyne/cm
Molar Volume: 248.7±3.0 cm3

Click to predict properties on the Chemicalize site


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