ChemSpider 2D Image | 2-({[(2S)-2-Amino-3-methylbutanoyl]oxy}methyl)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl (2S)-2-amino-3-methylbutanoate | C20H33N7O5

2-({[(2S)-2-Amino-3-methylbutanoyl]oxy}methyl)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl (2S)-2-amino-3-methylbutanoate

  • Molecular FormulaC20H33N7O5
  • Average mass451.520 Da
  • Monoisotopic mass451.254303 Da
  • ChemSpider ID25043051
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-Amino-3-méthylbutanoate de 2-({[(2S)-2-amino-3-méthylbutanoyl]oxy}méthyl)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyle [French] [ACD/IUPAC Name]
2-({[(2S)-2-Amino-3-methylbutanoyl]oxy}methyl)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl (2S)-2-amino-3-methylbutanoate [ACD/IUPAC Name]
2-({[(2S)-2-Amino-3-methylbutanoyl]oxy}methyl)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butyl-(2S)-2-amino-3-methylbutanoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 369.6±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 113.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -4.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 313.9±7.0 cm3

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