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Search term: LHLQHHDRLPOVCF-VIFPVBQESA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (6S)-6-Amino-4-hydroxy-2-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one | C12H12N4O2

(6S)-6-Amino-4-hydroxy-2-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one

  • Molecular FormulaC12H12N4O2
  • Average mass244.249 Da
  • Monoisotopic mass244.096024 Da
  • ChemSpider ID29407686
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6S)-6-Amino-4-hydroxy-2-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-on [German] [ACD/IUPAC Name]
(6S)-6-Amino-4-hydroxy-2-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-b]pyridin-5-one [ACD/IUPAC Name]
(6S)-6-Amino-4-hydroxy-2-phényl-2,4,6,7-tétrahydro-5H-pyrazolo[4,3-b]pyridin-5-one [French] [ACD/IUPAC Name]
5H-Pyrazolo[4,3-b]pyridin-5-one, 6-amino-2,4,6,7-tetrahydro-4-hydroxy-2-phenyl-, (6S)- [ACD/Index Name]
10.1016/j.bmcl.2013.02.039

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 471.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 238.9±31.5 °C
Index of Refraction: 1.757
Molar Refractivity: 64.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.56
Polar Surface Area: 84 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 71.8±7.0 dyne/cm
Molar Volume: 157.9±7.0 cm3

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