ChemSpider 2D Image | Methyl {(1S,2R,3R,4S)-2,3-dihydroxy-4-[(2-{3-[(trifluoromethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}sulfamate | C19H20F3N5O5S2

Methyl {(1S,2R,3R,4S)-2,3-dihydroxy-4-[(2-{3-[(trifluoromethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}sulfamate

  • Molecular FormulaC19H20F3N5O5S2
  • Average mass519.518 Da
  • Monoisotopic mass519.085815 Da
  • ChemSpider ID114391248

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(1S,2R,3R,4S)-2,3-Dihydroxy-4-[(2-{3-[(trifluorométhyl)sulfanyl]phényl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}sulfamate de méthyle [French] [ACD/IUPAC Name]
Methyl {(1S,2R,3R,4S)-2,3-dihydroxy-4-[(2-{3-[(trifluoromethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}sulfamate [ACD/IUPAC Name]
Methyl-{(1S,2R,3R,4S)-2,3-dihydroxy-4-[(2-{3-[(trifluormethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}sulfamat [German] [ACD/IUPAC Name]
Sulfamic acid, N-[(1S,2R,3R,4S)-2,3-dihydroxy-4-[[2-[3-[(trifluoromethyl)thio]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]-, methyl ester [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.60
ACD/KOC (pH 5.5): 174.45
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.73
ACD/KOC (pH 7.4): 176.82
Polar Surface Area: 172 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 302.7±7.0 cm3

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