ChemSpider 2D Image | 3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate | C27H29O16

3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate

  • Molecular FormulaC27H29O16
  • Average mass609.510 Da
  • Monoisotopic mass609.146118 Da
  • ChemSpider ID128920634

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olat [German] [ACD/IUPAC Name]
3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate [ACD/IUPAC Name]
3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-7-olate [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-, ion(1-) [ACD/Index Name]
-<i>D</i&gt;-glucosyl-(1->2)-&β
-D-glucoside
kaempferol 3-<i&gt;O</i>-&;β
kaempferol-3-O-sophoroside

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

Density:
Boiling Point: 995.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.0±3.0 kJ/mol
Flash Point: 329.3±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.93
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 268 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement