ChemSpider 2D Image | 6-Hydroxykaempferol 3-Rutinoside-6-glucoside | C33H40O21

6-Hydroxykaempferol 3-Rutinoside-6-glucoside

  • Molecular FormulaC33H40O21
  • Average mass772.658 Da
  • Monoisotopic mass772.206238 Da
  • ChemSpider ID60601133

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

145134-63-0 [RN]
3-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl β-D-glucopyranoside [ACD/IUPAC Name]
3-{[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-6-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
6-Hydroxykaempferol 3-Rutinoside-6-glucoside
β-D-Glucopyranoside de 3-{[6-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1144.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.8±3.0 kJ/mol
Flash Point: 358.7±27.8 °C
Index of Refraction: 1.760
Molar Refractivity: 171.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 129.9±5.0 dyne/cm
Molar Volume: 417.7±5.0 cm3

Click to predict properties on the Chemicalize site


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