ChemSpider 2D Image | 4-[(2R)-7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl beta-D-glucopyranoside | C27H32O16

4-[(2R)-7-(β-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl β-D-glucopyranoside

  • Molecular FormulaC27H32O16
  • Average mass612.533 Da
  • Monoisotopic mass612.169006 Da
  • ChemSpider ID9796171

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

4-[(2R)-7-(β-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2R)-7-(β-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-2,3-dihydro-5-hydroxy-, (2R)- [ACD/Index Name]
β-D-Glucopyranoside de 4-[(2R)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromén-2-yl]-2-hydroxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1002.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.2±3.0 kJ/mol
Flash Point: 330.9±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -2.28
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 100.1±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

Click to predict properties on the Chemicalize site


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