ChemSpider 2D Image | (1R)-1,4-Anhydro-1-{5-carbamoyl-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl}-D-arabinitol | C16H19N3O8S

(1R)-1,4-Anhydro-1-{5-carbamoyl-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl}-D-arabinitol

  • Molecular FormulaC16H19N3O8S
  • Average mass413.402 Da
  • Monoisotopic mass413.089294 Da
  • ChemSpider ID62579112

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R)-1,4-Anhydro-1-{5-carbamoyl-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl}-D-arabinitol [German] [ACD/IUPAC Name]
(1R)-1,4-Anhydro-1-{5-carbamoyl-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl}-D-arabinitol [ACD/IUPAC Name]
(1R)-1,4-Anhydro-1-{5-carbamoyl-4-hydroxy-1-[(4-méthylphényl)sulfonyl]-1H-pyrazol-3-yl}-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 1-C-[5-(aminocarbonyl)-4-hydroxy-1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-3-yl]-1,4-anhydro-, (1R)- [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: 687.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 369.7±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 92.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.87
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 82.2±7.0 dyne/cm
Molar Volume: 229.1±7.0 cm3

Click to predict properties on the Chemicalize site


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