ChemSpider 2D Image | (1S)-1-Deoxy-1-fluoro-1-(3-hydroxy-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl)-D-arabinitol | C11H18FN3O5

(1S)-1-Deoxy-1-fluoro-1-(3-hydroxy-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl)-D-arabinitol

  • Molecular FormulaC11H18FN3O5
  • Average mass291.276 Da
  • Monoisotopic mass291.123047 Da
  • ChemSpider ID108474925

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S)-1-Deoxy-1-fluoro-1-(3-hydroxy-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl)-D-arabinitol [ACD/IUPAC Name]
(1S)-1-Desoxy-1-fluor-1-(3-hydroxy-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl)-D-arabinitol [German] [ACD/IUPAC Name]
(1S)-1-Désoxy-1-fluoro-1-(3-hydroxy-4,5,6,7-tétrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl)-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 1-deoxy-1-fluoro-1-(4,5,6,7-tetrahydro-3-hydroxy-2H-pyrazolo[4,3-c]pyridin-4-yl)-, (1S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 740.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 184.0±3.0 cm3

Click to predict properties on the Chemicalize site


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