ChemSpider 2D Image | 3,5-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside | C22H22O11

3,5-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

  • Molecular FormulaC22H22O11
  • Average mass462.404 Da
  • Monoisotopic mass462.116211 Da
  • ChemSpider ID30777253
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

3,5-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-2-(4-methoxyphenyl)- [ACD/Index Name]
β-D-Glucopyranoside de 3,5-dihydroxy-2-(4-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
16290-08-7 [RN]
3,5-dihydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
3,5-dihydroxy-2-(4-methoxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
hmdb
kaempferide 7-O-glucoside
Kaempferide 7-glucoside
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 775.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 271.7±26.4 °C
Index of Refraction: 1.703
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.18
ACD/LogD (pH 7.4): -1.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 175 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 88.6±3.0 dyne/cm
Molar Volume: 283.8±3.0 cm3

Click to predict properties on the Chemicalize site






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