ChemSpider 2D Image | mizagliflozin | C28H44N4O8

mizagliflozin

  • Molecular FormulaC28H44N4O8
  • Average mass564.671 Da
  • Monoisotopic mass564.315918 Da
  • ChemSpider ID8635948

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1X96A704XV
2,2-dimethyl-3-{[3-(3-methyl-4-{[5-(propan-2-yl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-pyrazol-4-yl]methyl}phenoxy)propyl]amino}propanamide
3-{[3-(4-{[3-(β-D-Glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}-3-methylphenoxy)propyl]amino}-2,2-dimethylpropanamid [German] [ACD/IUPAC Name]
3-{[3-(4-{[3-(β-D-Glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]methyl}-3-methylphenoxy)propyl]amino}-2,2-dimethylpropanamide [ACD/IUPAC Name]
3-{[3-(4-{[3-(β-D-Glucopyranosyloxy)-5-isopropyl-1H-pyrazol-4-yl]méthyl}-3-méthylphénoxy)propyl]amino}-2,2-diméthylpropanamide [French] [ACD/IUPAC Name]
666843-10-3 [RN]
DSP-3235
GSK-1614235
KGA-3235
mizagliflozin [INN]
More...

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

10245 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 837.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.5±3.0 kJ/mol
Flash Point: 460.0±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 149.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 0.59
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

Click to predict properties on the Chemicalize site


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