ChemSpider 2D Image | 5'-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Methyl)amino]-5'-Deoxyadenosine | C25H36N8O4

5'-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Methyl)amino]-5'-Deoxyadenosine

  • Molecular FormulaC25H36N8O4
  • Average mass512.604 Da
  • Monoisotopic mass512.285950 Da
  • ChemSpider ID31148234

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Methyl)amino]-5'-Deoxyadenosine
5'-Deoxy-5'-{methyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}adenosine [ACD/IUPAC Name]
5'-Desoxy-5'-{methyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}adenosin [German] [ACD/IUPAC Name]
5'-Désoxy-5'-{méthyl[3-({[4-(2-méthyl-2-propanyl)phényl]carbamoyl}amino)propyl]amino}adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-deoxy-5'-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl]methylamino]- [ACD/Index Name]
0QJ

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.10
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.87
ACD/KOC (pH 7.4): 23.42
Polar Surface Area: 164 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 362.5±7.0 cm3

Click to predict properties on the Chemicalize site


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