ChemSpider 2D Image | 5'-[(3-{[(Benzyloxy)carbonyl]amino}propyl)amino]-5'-deoxyadenosine | C21H27N7O5

5'-[(3-{[(Benzyloxy)carbonyl]amino}propyl)amino]-5'-deoxyadenosine

  • Molecular FormulaC21H27N7O5
  • Average mass457.483 Da
  • Monoisotopic mass457.207367 Da
  • ChemSpider ID28641690
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

5'-[(3-{[(Benzyloxy)carbonyl]amino}propyl)amino]-5'-deoxyadenosine [ACD/IUPAC Name]
5'-[(3-{[(Benzyloxy)carbonyl]amino}propyl)amino]-5'-desoxyadenosin [German] [ACD/IUPAC Name]
5'-[(3-{[(Benzyloxy)carbonyl]amino}propyl)amino]-5'-désoxyadénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-5'-[[3-[[(phenylmethoxy)carbonyl]amino]propyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.722
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -2.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 68.8±7.0 dyne/cm
Molar Volume: 292.2±7.0 cm3

Click to predict properties on the Chemicalize site






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