ChemSpider 2D Image | 5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-4-O-(3,4,5-trihydroxybenzoyl)-beta-D-mannopyranoside | C28H24O16

5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-4-O-(3,4,5-trihydroxybenzoyl)-β-D-mannopyranoside

  • Molecular FormulaC28H24O16
  • Average mass616.481 Da
  • Monoisotopic mass616.106445 Da
  • ChemSpider ID23326859

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-deoxy-4-O-(3,4,5-trihydroxybenzoyl)-β-D-mannopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-4-O-(3,4,5-trihydroxybenzoyl)-β-D-mannopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl-6-desoxy-4-O-(3,4,5-trihydroxybenzoyl)-β-D-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-(3,4,5-trihydroxybenzoyl)-β-D-mannopyranoside de 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-3-yle [French] [ACD/IUPAC Name]
(2R,3S,4R,5S,6S)-6-(5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yloxy)-4,5-dihydroxy-2-methyltetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point: 1104.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.1±3.0 kJ/mol
Flash Point: 365.0±27.8 °C
Index of Refraction: 1.839
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.33
ACD/KOC (pH 5.5): 220.91
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.34
Polar Surface Area: 273 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 150.1±5.0 dyne/cm
Molar Volume: 316.8±5.0 cm3

Click to predict properties on the Chemicalize site


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