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Search term: YWUJVBSQHYBLFQ-HAXDFEGKSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 9-(5-{(3-Aminopropyl)[3-(2-pyridinylamino)propyl]amino}-5-deoxy-beta-L-ribofuranosyl)-9H-purin-6-amine | C21H31N9O3

9-(5-{(3-Aminopropyl)[3-(2-pyridinylamino)propyl]amino}-5-deoxy-β-L-ribofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC21H31N9O3
  • Average mass457.529 Da
  • Monoisotopic mass457.254974 Da
  • ChemSpider ID129245272

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

9-(5-{(3-Aminopropyl)[3-(2-pyridinylamino)propyl]amino}-5-deoxy-β-L-ribofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-{(3-Aminopropyl)[3-(2-pyridinylamino)propyl]amino}-5-desoxy-β-L-ribofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-{(3-Aminopropyl)[3-(2-pyridinylamino)propyl]amino}-5-désoxy-β-L-ribofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-[(3-aminopropyl)[3-(2-pyridinylamino)propyl]amino]-5-deoxy-β-L-ribofuranosyl]- [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: 788.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 430.8±35.7 °C
Index of Refraction: 1.739
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -4.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 70.6±7.0 dyne/cm
Molar Volume: 296.0±7.0 cm3

Click to predict properties on the Chemicalize site


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