ChemSpider 2D Image | (6S)-6-Amino-1-benzyl-4-hydroxy-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one | C13H14N4O2

(6S)-6-Amino-1-benzyl-4-hydroxy-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one

  • Molecular FormulaC13H14N4O2
  • Average mass258.276 Da
  • Monoisotopic mass258.111664 Da
  • ChemSpider ID29403428

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-Amino-1-benzyl-4-hydroxy-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-on [German] [ACD/IUPAC Name]
(6S)-6-Amino-1-benzyl-4-hydroxy-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one [ACD/IUPAC Name]
(6S)-6-Amino-1-benzyl-4-hydroxy-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-b]pyridin-5-one [French] [ACD/IUPAC Name]
5H-Pyrazolo[4,3-b]pyridin-5-one, 6-amino-1,4,6,7-tetrahydro-4-hydroxy-1-(phenylmethyl)-, (6S)- [ACD/Index Name]
US8598200, 4

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

Density: 1.5±0.1 g/cm3
Boiling Point: 511.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 263.4±32.9 °C
Index of Refraction: 1.729
Molar Refractivity: 69.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.48
Polar Surface Area: 84 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 67.3±7.0 dyne/cm
Molar Volume: 174.0±7.0 cm3

Click to predict properties on the Chemicalize site


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