ChemSpider 2D Image | (6R)-5-Amino-2,6-anhydro-1,3,4,5-tetradeoxy-6-(2,5-difluorophenyl)-1,1,1-trifluoro-3-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-D-arabino-hexitol | C18H19F5N4O3S

(6R)-5-Amino-2,6-anhydro-1,3,4,5-tetradeoxy-6-(2,5-difluorophenyl)-1,1,1-trifluoro-3-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-D-arabino-hexitol

  • Molecular FormulaC18H19F5N4O3S
  • Average mass466.426 Da
  • Monoisotopic mass466.109802 Da
  • ChemSpider ID115037226

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R)-5-Amino-2,6-anhydro-1,3,4,5-tetradeoxy-6-(2,5-difluorophenyl)-1,1,1-trifluoro-3-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-D-arabino-hexitol [ACD/IUPAC Name]
(6R)-5-Amino-2,6-anhydro-1,3,4,5-tétradésoxy-6-(2,5-difluorophényl)-1,1,1-trifluoro-3-[2-(méthylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-D-arabino-hexitol [French] [ACD/IUPAC Name]
(6R)-5-Amino-2,6-anhydro-1,3,4,5-tetradesoxy-6-(2,5-difluorphenyl)-1,1,1-trifluor-3-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]-D-arabino-hexitol [German] [ACD/IUPAC Name]
D-arabino-Hexitol, 5-amino-2,6-anhydro-1,3,4,5-tetradeoxy-6-C-(2,5-difluorophenyl)-3-[2,6-dihydro-2-(methylsulfonyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]-1,1,1-trifluoro-, (6R)- [ACD/Index Name]
1844874-26-5 [RN]
Cofrogliptin

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

Density: 1.7±0.1 g/cm3
Boiling Point: 524.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.7±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 19.18
Polar Surface Area: 99 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 276.9±7.0 cm3

Click to predict properties on the Chemicalize site


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