ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(3,4,5-trihydroxybenzoyl)-beta-L-glucopyranoside | C28H24O15

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-L-glucopyranoside

  • Molecular FormulaC28H24O15
  • Average mass600.481 Da
  • Monoisotopic mass600.111511 Da
  • ChemSpider ID8343107

  • 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, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-(3,4,5-trihydroxybenzoyl)-β-L-glucopyranosyl]oxy]- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-L-glucopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-(3,4,5-trihydroxybenzoyl)-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(3,4,5-Trihydroxybenzoyl)-β-L-glucopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1043.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.9±3.0 kJ/mol
Flash Point: 346.7±27.8 °C
Index of Refraction: 1.814
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 18.71
ACD/KOC (pH 5.5): 268.73
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.78
Polar Surface Area: 253 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 136.4±5.0 dyne/cm
Molar Volume: 320.5±5.0 cm3

Click to predict properties on the Chemicalize site


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