Found 2 results

Search term: HBYGWGPPHDFGQR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-3'-Methyl-1-(3-methylbutyl)-1'-(9H-purin-6-yl)-1',7'-dihydrospiro[indole-3,4'-pyrazolo[3,4-b]pyridine]-2,6'(1H,5'H)-dione | C24H24N8O2

(3S)-3'-Methyl-1-(3-methylbutyl)-1'-(9H-purin-6-yl)-1',7'-dihydrospiro[indole-3,4'-pyrazolo[3,4-b]pyridine]-2,6'(1H,5'H)-dione

  • Molecular FormulaC24H24N8O2
  • Average mass456.500 Da
  • Monoisotopic mass456.202209 Da
  • ChemSpider ID129250744

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3'-Methyl-1-(3-methylbutyl)-1'-(9H-purin-6-yl)-1',7'-dihydrospiro[indole-3,4'-pyrazolo[3,4-b]pyridine]-2,6'(1H,5'H)-dione [ACD/IUPAC Name]
Spiro[3H-indole-3,4'-[4H]pyrazolo[3,4-b]pyridine]-2,6'(5'H,1H)-dione, 1',7'-dihydro-3'-methyl-1-(3-methylbutyl)-1'-(9H-purin-6-yl)-, (3S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 833.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.2±3.0 kJ/mol
Flash Point: 458.1±34.3 °C
Index of Refraction: 1.799
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.11
ACD/KOC (pH 5.5): 1059.89
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 52.85
ACD/KOC (pH 7.4): 470.24
Polar Surface Area: 122 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 294.6±7.0 cm3

Click to predict properties on the Chemicalize site


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