ChemSpider 2D Image | 4-[(2S)-7-(beta-D-Glucopyranosyloxy)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenyl beta-D-glucopyranoside | C28H34O16

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

  • Molecular FormulaC28H34O16
  • Average mass626.560 Da
  • Monoisotopic mass626.184692 Da
  • ChemSpider ID9817788

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 966.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.5±3.0 kJ/mol
Flash Point: 316.6±27.8 °C
Index of Refraction: 1.675
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.71
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.86
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 255 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 88.4±3.0 dyne/cm
Molar Volume: 384.6±3.0 cm3

Click to predict properties on the Chemicalize site


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