ChemSpider 2D Image | Myricetin 3-O-galactoside | C21H20O13

Myricetin 3-O-galactoside

  • Molecular FormulaC21H20O13
  • Average mass480.376 Da
  • Monoisotopic mass480.090393 Da
  • ChemSpider ID29365153

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

15648-86-9 [RN]
4H-1-Benzopyran-4-one, 3-(D-galactopyranosyloxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl D-galactopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl-D-galactopyranosid [German] [ACD/IUPAC Name]
D-Galactopyranoside de 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-3-yle [French] [ACD/IUPAC Name]
Myricetin 3-O-galactoside
Myricetin3-O-galactoside

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

Density: 2.0±0.1 g/cm3
Boiling Point: 957.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.1±3.0 kJ/mol
Flash Point: 334.9±27.8 °C
Index of Refraction: 1.834
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.92
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 152.7±5.0 dyne/cm
Molar Volume: 244.0±5.0 cm3

Click to predict properties on the Chemicalize site


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