ChemSpider 2D Image | 2-Ammonio-3-(6-{[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]amino}-9H-purin-9-yl)propanoate | C13H16N6O3

2-Ammonio-3-(6-{[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]amino}-9H-purin-9-yl)propanoate

  • Molecular FormulaC13H16N6O3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID24784727

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

2-Ammonio-3-(6-{[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]amino}-9H-purin-9-yl)propanoat [German] [ACD/IUPAC Name]
2-Ammonio-3-(6-{[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]amino}-9H-purin-9-yl)propanoate [ACD/IUPAC Name]
2-Ammonio-3-(6-{[(2E)-4-hydroxy-3-méthyl-2-butén-1-yl]amino}-9H-purin-9-yl)propanoate [French] [ACD/IUPAC Name]
Alanine, 3-[6-[[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]amino]-9H-purin-9-yl]- [ACD/Index Name]
lupinate

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

Density:
Boiling Point: 637.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 339.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -2.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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