ChemSpider 2D Image | 5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 4-O-acetyl-6-deoxy-alpha-L-erythro-hexopyranoside | C23H22O13

5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 4-O-acetyl-6-deoxy-α-L-erythro-hexopyranoside

  • Molecular FormulaC23H22O13
  • Average mass506.413 Da
  • Monoisotopic mass506.106049 Da
  • ChemSpider ID24845132

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[(4-O-acetyl-6-deoxy-α-L-erythro-hexopyranosyl)oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)- [ACD/Index Name]
4-O-Acétyl-6-désoxy-α-L-érythro-hexopyranoside de 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphényl)-4H-chromén-3-yle [French] [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 4-O-acetyl-6-deoxy-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl-4-O-acetyl-6-desoxy-α-L-erythro-hexopyranosid [German] [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: 862.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.4±3.0 kJ/mol
Flash Point: 297.9±27.8 °C
Index of Refraction: 1.747
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 78.89
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 213 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 113.9±5.0 dyne/cm
Molar Volume: 284.4±5.0 cm3

Click to predict properties on the Chemicalize site


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