ChemSpider 2D Image | 4-(Hexopyranosyloxy)-1-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2,5-cyclohexadien-1-yl acetate | C24H26O12

4-(Hexopyranosyloxy)-1-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2,5-cyclohexadien-1-yl acetate

  • Molecular FormulaC24H26O12
  • Average mass506.456 Da
  • Monoisotopic mass506.142426 Da
  • ChemSpider ID351481

More details:

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

4-(Hexopyranosyloxy)-1-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2,5-cyclohexadien-1-yl acetate [ACD/IUPAC Name]
4-(Hexopyranosyloxy)-1-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2,5-cyclohexadien-1-yl-acetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[1-(acetyloxy)-4-(hexopyranosyloxy)-2,5-cyclohexadien-1-yl]-5-hydroxy-7-methoxy- [ACD/Index Name]
Acétate de 4-(hexopyranosyloxy)-1-(5-hydroxy-7-méthoxy-4-oxo-4H-chromén-2-yl)-2,5-cyclohexadién-1-yle [French] [ACD/IUPAC Name]

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

NCI60_036712 [DBID]
NSC702645 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 765.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 261.1±26.4 °C
Index of Refraction: 1.671
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.22
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.81
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.27
Polar Surface Area: 181 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 320.6±5.0 cm3

Click to predict properties on the Chemicalize site


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