ChemSpider 2D Image | 7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl beta-D-glucopyranoside | C21H20O10

7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl β-D-glucopyranoside

  • Molecular FormulaC21H20O10
  • Average mass432.378 Da
  • Monoisotopic mass432.105652 Da
  • ChemSpider ID28424507

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
7-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 7-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
[28757-27-9] [RN]
1018989-94-0 [RN]
28757-27-9 [RN]
5-[(β-D-GLUCOPYRANOSYL)OXY]-4',7-DIHYDROXYFLAVONE
5-OXOPYRROLIDINE-2-CARBOXAMIDE
7-hydroxy-2-(4-hydroxyphenyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 814.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.1±3.0 kJ/mol
Flash Point: 289.7±27.8 °C
Index of Refraction: 1.717
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.48
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 166 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 91.4±3.0 dyne/cm
Molar Volume: 263.2±3.0 cm3

Click to predict properties on the Chemicalize site


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