ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-beta-D-talopyranoside | C23H22O11

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-β-D-talopyranoside

  • Molecular FormulaC23H22O11
  • Average mass474.414 Da
  • Monoisotopic mass474.116211 Da
  • ChemSpider ID62575019

  • 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, 7-[(6-O-acetyl-β-D-talopyranosyl)oxy]-5-hydroxy-3-(4-hydroxyphenyl)- [ACD/Index Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-acetyl-β-D-talopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-acetyl-β-D-talopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-talopyranoside de 5-hydroxy-3-(4-hydroxyphényl)-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: 1.6±0.1 g/cm3
Boiling Point: 772.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 268.4±26.4 °C
Index of Refraction: 1.672
Molar Refractivity: 113.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.08
ACD/KOC (pH 5.5): 158.95
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.01
Polar Surface Area: 172 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 302.2±3.0 cm3

Click to predict properties on the Chemicalize site


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