ChemSpider 2D Image | 7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-5-yl D-glucopyranoside | C22H22O11

7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-5-yl D-glucopyranoside

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID29365174
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

4H-1-Benzopyran-4-one, 5-(D-glucopyranosyloxy)-7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-5-yl D-glucopyranoside [ACD/IUPAC Name]
7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-5-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 7-hydroxy-2-(3-hydroxy-4-méthoxyphényl)-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
(2S)-7-Hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chroman-4-one
69651-80-5 [RN]
Hesperetin 5-O-glucoside

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 827.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 290.1±27.8 °C
Index of Refraction: 1.695
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.98
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.16
Polar Surface Area: 175 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 85.2±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

Click to predict properties on the Chemicalize site






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