ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-threo-hexopyranoside | C28H24O16

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC28H24O16
  • Average mass616.481 Da
  • Monoisotopic mass616.106445 Da
  • ChemSpider ID24843600

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl-6-O-(3,4,5-trihydroxybenzoyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[[6-O-(3,4,5-trihydroxybenzoyl)-β-D-threo-hexopyranosyl]oxy]- [ACD/Index Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-D-thréo-hexopyranoside de 2-(3,4-dihydroxyphényl)-3,5-dihydroxy-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: 1.8±0.1 g/cm3
Boiling Point: 1052.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 161.4±3.0 kJ/mol
Flash Point: 348.5±27.8 °C
Index of Refraction: 1.790
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.12
ACD/KOC (pH 5.5): 129.05
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.17
Polar Surface Area: 273 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 118.3±3.0 dyne/cm
Molar Volume: 336.7±3.0 cm3

Click to predict properties on the Chemicalize site


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