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

7-Hydroxy-4-(4-hydroxyphenyl)-2-oxo-2H-chromen-5-yl 6-O-acetylhexopyranoside

  • Molecular FormulaC23H22O11
  • Average mass474.414 Da
  • Monoisotopic mass474.116211 Da
  • ChemSpider ID24628155

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 5-[(6-O-acetylhexopyranosyl)oxy]-7-hydroxy-4-(4-hydroxyphenyl)- [ACD/Index Name]
6-O-Acétylhexopyranoside de 7-hydroxy-4-(4-hydroxyphényl)-2-oxo-2H-chromén-5-yle [French] [ACD/IUPAC Name]
7-Hydroxy-4-(4-hydroxyphenyl)-2-oxo-2H-chromen-5-yl 6-O-acetylhexopyranoside [ACD/IUPAC Name]
7-Hydroxy-4-(4-hydroxyphenyl)-2-oxo-2H-chromen-5-yl-6-O-acetylhexopyranosid [German] [ACD/IUPAC Name]
1112383-46-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 793.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 275.9±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: 2.91
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 4.34
ACD/KOC (pH 5.5): 99.06
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 1.79
ACD/KOC (pH 7.4): 40.78
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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