ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-3-yl 3-O-(4,6-di-O-acetyl-beta-D-threo-hexopyranosyl)-alpha-L-threo-hexopyranoside | C33H38O20

5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-3-yl 3-O-(4,6-di-O-acetyl-β-D-threo-hexopyranosyl)-α-L-threo-hexopyranoside

  • Molecular FormulaC33H38O20
  • Average mass754.643 Da
  • Monoisotopic mass754.195618 Da
  • ChemSpider ID24845173

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

3-O-(4,6-Di-O-acétyl-β-D-thréo-hexopyranosyl)-α-L-thréo-hexopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3,5-diméthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[3-O-(4,6-di-O-acetyl-β-D-threo-hexopyranosyl)-α-L-threo-hexopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-3-yl 3-O-(4,6-di-O-acetyl-β-D-threo-hexopyranosyl)-α-L-threo-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-3-yl-3-O-(4,6-di-O-acetyl-β-D-threo-hexopyranosyl)-α-L-threo-hexopyranosid [German] [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: 1002.5±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: 314.5±27.8 °C
Index of Refraction: 1.675
Molar Refractivity: 170.1±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 45.03
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 296 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 95.5±5.0 dyne/cm
Molar Volume: 452.4±5.0 cm3

Click to predict properties on the Chemicalize site


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