ChemSpider 2D Image | 6-Hydroxykaempferol 3-glucoside | C21H20O12

6-Hydroxykaempferol 3-glucoside

  • Molecular FormulaC21H20O12
  • Average mass464.376 Da
  • Monoisotopic mass464.095490 Da
  • ChemSpider ID82827039

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

145134-61-8 [RN]
4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Hydroxykaempferol 3-glucoside
β-D-Glucopyranoside de 5,6,7-trihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
6-Hydroxykaempferol 3-O-??-D-glucoside
Scutellarein 3-O-glucoside

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

Density: 1.9±0.1 g/cm3
Boiling Point: 894.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.2±3.0 kJ/mol
Flash Point: 315.0±27.8 °C
Index of Refraction: 1.803
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.30
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 134.9±5.0 dyne/cm
Molar Volume: 247.2±5.0 cm3

Click to predict properties on the Chemicalize site


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