ChemSpider 2D Image | 5,8-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-2-O-(6-O-acetyl-beta-D-threo-hexopyranosyl)-beta-D-threo-hexopyranoside | C32H36O19

5,8-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-2-O-(6-O-acetyl-β-D-threo-hexopyranosyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC32H36O19
  • Average mass724.617 Da
  • Monoisotopic mass724.185059 Da
  • ChemSpider ID24844249

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[[6-O-acetyl-2-O-(6-O-acetyl-β-D-threo-hexopyranosyl)-β-D-threo-hexopyranosyl]oxy]-5,8-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)- [ACD/Index Name]
5,8-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-2-O-(6-O-acetyl-β-D-threo-hexopyranosyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
5,8-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-acetyl-2-O-(6-O-acetyl-β-D-threo-hexopyranosyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-2-O-(6-O-acétyl-β-D-thréo-hexopyranosyl)-β-D-thréo-hexopyranoside de 5,8-dihydroxy-2-(3-hydroxy-4-méthoxyphényl)-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: 990.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.3±3.0 kJ/mol
Flash Point: 314.0±27.8 °C
Index of Refraction: 1.686
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 41.03
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.51
Polar Surface Area: 287 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 98.7±5.0 dyne/cm
Molar Volume: 430.7±5.0 cm3

Click to predict properties on the Chemicalize site


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