ChemSpider 2D Image | 3-(beta-D-glycero-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-erythro-hexopyranoside | C28H32O16

3-(β-D-glycero-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-erythro-hexopyranoside

  • Molecular FormulaC28H32O16
  • Average mass624.544 Da
  • Monoisotopic mass624.169006 Da
  • ChemSpider ID24845656

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

3-(β-D-glycero-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
3-(β-D-glycero-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-oxo-4H-chromen-7-yl-6-desoxy-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[(6-deoxy-α-L-erythro-hexopyranosyl)oxy]-3-(β-D-glycero-hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-8-methoxy- [ACD/Index Name]
6-Désoxy-α-L-érythro-hexopyranoside de 3-(β-D-glycéro-hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-8-méthoxy-4-oxo-4H-chromén-7-yle [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: 985.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.5±3.0 kJ/mol
Flash Point: 323.7±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.08
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 109.6±5.0 dyne/cm
Molar Volume: 358.9±5.0 cm3

Click to predict properties on the Chemicalize site


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