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

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

  • Molecular FormulaC19H20F3N5O5S2
  • Average mass519.518 Da
  • Monoisotopic mass519.085815 Da
  • ChemSpider ID115040931

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{(1R,2S,3S,4R)-2,3-Dihydroxy-4-[(2-{3-[(trifluormethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}methylsulfamat [German] [ACD/IUPAC Name]
{(1R,2S,3S,4R)-2,3-Dihydroxy-4-[(2-{3-[(trifluoromethyl)sulfanyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}methyl sulfamate [ACD/IUPAC Name]
Sulfamate de {(1R,2S,3S,4R)-2,3-dihydroxy-4-[(2-{3-[(trifluorométhyl)sulfanyl]phényl}pyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl}méthyle [French] [ACD/IUPAC Name]
Sulfamic acid, [(1R,2S,3S,4R)-2,3-dihydroxy-4-[[2-[3-[(trifluoromethyl)thio]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl ester [ACD/Index Name]
1450833-55-2 [RN]
Sulfamic acid, [(1R,2R,3S,4R)-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: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 115.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.61
ACD/KOC (pH 5.5): 118.65
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 120.41
Polar Surface Area: 186 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

Click to predict properties on the Chemicalize site


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