ChemSpider 2D Image | Omarigliptin | C17H20F2N4O3S

Omarigliptin

  • Molecular FormulaC17H20F2N4O3S
  • Average mass398.427 Da
  • Monoisotopic mass398.122406 Da
  • ChemSpider ID28424182
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(2R,3S,5R)-2-(2,5-Difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine [ACD/IUPAC Name]
(2R,3S,5R)-2-(2,5-Difluorophényl)-5-[2-(méthylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tétrahydro-2H-pyran-3-amine [French] [ACD/IUPAC Name]
(2R,3S,5R)-2-(2,5-Difluorphenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amin [German] [ACD/IUPAC Name]
1226781-44-7 [RN]
2H-Pyran-3-amine, 2-(2,5-difluorophenyl)-5-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-, (2R,3S,5R)- [ACD/Index Name]
9586
CVP59Q4JE1
Omarigliptina [Spanish] [INN]
Omarigliptine [French] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 529.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 274.0±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 94.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.35
Polar Surface Area: 99 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 246.9±7.0 cm3

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