ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-4-O-(3,4,5-trihydroxybenzoyl)-alpha-D-talopyranoside | C28H24O14

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-4-O-(3,4,5-trihydroxybenzoyl)-α-D-talopyranoside

  • Molecular FormulaC28H24O14
  • Average mass584.482 Da
  • Monoisotopic mass584.116577 Da
  • ChemSpider ID34542419

  • 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)-α-D-talopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-4-O-(3,4,5-trihydroxybenzoyl)-α-D-talopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-6-desoxy-4-O-(3,4,5-trihydroxybenzoyl)-α-D-talopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-4-O-(3,4,5-trihydroxybenzoyl)-α-D-talopyranoside 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: 1.8±0.1 g/cm3
Boiling Point: 1009.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.4±3.0 kJ/mol
Flash Point: 336.7±27.8 °C
Index of Refraction: 1.792
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 49.81
ACD/KOC (pH 5.5): 528.40
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 11.56
Polar Surface Area: 233 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 123.7±5.0 dyne/cm
Molar Volume: 323.3±5.0 cm3

Click to predict properties on the Chemicalize site


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