ChemSpider 2D Image | 4-[2-(2-Chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium | C21H21ClNO5

4-[2-(2-Chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium

  • Molecular FormulaC21H21ClNO5
  • Average mass402.848 Da
  • Monoisotopic mass402.110291 Da
  • ChemSpider ID21200654

  • Charge - Charge

More details:

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

4-[2-(2-Chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium [ACD/IUPAC Name]
4-[2-(2-Chlorophényl)-5,7-dihydroxy-4-oxo-4H-chromén-8-yl]-3-hydroxy-1-méthylpipéridinium [French] [ACD/IUPAC Name]
4-[2-(2-Chlorphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium [German] [ACD/IUPAC Name]
Piperidinium, 4-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-8-yl]-3-hydroxy-1-methyl- [ACD/Index Name]
(3S,4R)-4-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium
alvocidib(1+)

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

Density:
Boiling Point: 603.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 318.8±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.26
Polar Surface Area: 91 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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