ChemSpider 2D Image | 5'-Deoxy-5'-(2-propyn-1-ylamino)adenosine | C13H16N6O3

5'-Deoxy-5'-(2-propyn-1-ylamino)adenosine

  • Molecular FormulaC13H16N6O3
  • Average mass304.305 Da
  • Monoisotopic mass304.128387 Da
  • ChemSpider ID28640424

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-Deoxy-5'-(2-propyn-1-ylamino)adenosine [ACD/IUPAC Name]
5'-Deoxy-5'-(Prop-2-Yn-1-Ylamino)adenosine
5'-Desoxy-5'-(2-propin-1-ylamino)adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-5'-(2-propyn-1-ylamino)adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-5'-(2-propyn-1-ylamino)- [ACD/Index Name]
A3N

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

Density: 1.7±0.1 g/cm3
Boiling Point: 664.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 355.7±34.3 °C
Index of Refraction: 1.767
Molar Refractivity: 75.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -1.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.88
Polar Surface Area: 131 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 183.0±7.0 cm3

Click to predict properties on the Chemicalize site


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