ChemSpider 2D Image | N-[4-(Acetylamino)butyl]-5'-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]-5'-Deoxyadenosine | C33H51N9O5

N-[4-(Acetylamino)butyl]-5'-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]-5'-Deoxyadenosine

  • Molecular FormulaC33H51N9O5
  • Average mass653.815 Da
  • Monoisotopic mass653.401306 Da
  • ChemSpider ID35035297

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Adenosine, N-[4-(acetylamino)butyl]-5'-deoxy-5'-[[3-[[[[4-(1,1-dimethylethyl)phenyl]amino]carbonyl]amino]propyl](1-methylethyl)amino]- [ACD/Index Name]
N-(4-Acetamidobutyl)-5'-deoxy-5'-{isopropyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}adenosine [ACD/IUPAC Name]
N-(4-Acetamidobutyl)-5'-desoxy-5'-{isopropyl[3-({[4-(2-methyl-2-propanyl)phenyl]carbamoyl}amino)propyl]amino}adenosin [German] [ACD/IUPAC Name]
N-(4-Acétamidobutyl)-5'-désoxy-5'-{isopropyl[3-({[4-(2-méthyl-2-propanyl)phényl]carbamoyl}amino)propyl]amino}adénosine [French] [ACD/IUPAC Name]
N-[4-(Acetylamino)butyl]-5'-[(3-{[(4-Tert-Butylphenyl)carbamoyl]amino}propyl)(Propan-2-Yl)amino]-5'-Deoxyadenosine
3US

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.632
Molar Refractivity: 178.0±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 9.85
ACD/KOC (pH 7.4): 69.87
Polar Surface Area: 179 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 498.8±7.0 cm3

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