ChemSpider 2D Image | 5-[3-(alpha-L-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxy-3-methoxyphenyl alpha-L-glycero-hexopyranoside | C28H32O18

5-[3-(α-L-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxy-3-methoxyphenyl α-L-glycero-hexopyranoside

  • Molecular FormulaC28H32O18
  • Average mass656.543 Da
  • Monoisotopic mass656.158875 Da
  • ChemSpider ID24845161

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-(α-L-glycero-hexopyranosyloxy)-2-[3-(α-L-glycero-hexopyranosyloxy)-4-hydroxy-5-methoxyphenyl]-5,7-dihydroxy- [ACD/Index Name]
5-[3-(α-L-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxy-3-methoxyphenyl α-L-glycero-hexopyranoside [ACD/IUPAC Name]
5-[3-(α-L-glycero-Hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxy-3-methoxyphenyl-α-L-glycero-hexopyranosid [German] [ACD/IUPAC Name]
α-L-glycéro-Hexopyranoside de 5-[3-(α-L-glycéro-hexopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromén-2-yl]-2-hydroxy-3-méthoxyphényle [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: 1039.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.3±3.0 kJ/mol
Flash Point: 339.0±27.8 °C
Index of Refraction: 1.766
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.16
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 130.9±5.0 dyne/cm
Molar Volume: 352.8±5.0 cm3

Click to predict properties on the Chemicalize site


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