ChemSpider 2D Image | 5'-{[(3S)-3-Amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine | C20H33N7O5

5'-{[(3S)-3-Amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine

  • Molecular FormulaC20H33N7O5
  • Average mass451.520 Da
  • Monoisotopic mass451.254303 Da
  • ChemSpider ID26369244
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

5'-{[(3S)-3-Amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine [ACD/IUPAC Name]
5'-{[(3S)-3-Amino-3-carboxypropyl](hexyl)amino}-5'-desoxyadenosin [German] [ACD/IUPAC Name]
5'-{[(3S)-3-Amino-3-carboxypropyl](hexyl)amino}-5'-désoxyadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-[[(3S)-3-amino-3-carboxypropyl]hexylamino]-5'-deoxy- [ACD/Index Name]
K15

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

Density: 1.5±0.1 g/cm3
Boiling Point: 749.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.9±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 112.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -2.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 67.3±7.0 dyne/cm
Molar Volume: 292.7±7.0 cm3

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