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Search term: JSPGMJXQPIKTMC-LBPRGKRZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5S)-5-Amino-7-hydroxy-3-(3-methoxybenzyl)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one | C15H18N4O3

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

  • Molecular FormulaC15H18N4O3
  • Average mass302.328 Da
  • Monoisotopic mass302.137878 Da
  • ChemSpider ID29408280

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-Amino-7-hydroxy-3-(3-methoxybenzyl)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-on [German] [ACD/IUPAC Name]
(5S)-5-Amino-7-hydroxy-3-(3-methoxybenzyl)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [ACD/IUPAC Name]
(5S)-5-Amino-7-hydroxy-3-(3-méthoxybenzyl)-1-méthyl-1,4,5,7-tétrahydro-6H-pyrazolo[3,4-b]pyridin-6-one [French] [ACD/IUPAC Name]
6H-Pyrazolo[3,4-b]pyridin-6-one, 5-amino-1,4,5,7-tetrahydro-7-hydroxy-3-[(3-methoxyphenyl)methyl]-1-methyl-, (5S)- [ACD/Index Name]
US8598200, 54

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 279.0±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 79.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.17
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.34
Polar Surface Area: 94 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 57.0±7.0 dyne/cm
Molar Volume: 211.0±7.0 cm3

Click to predict properties on the Chemicalize site


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