ChemSpider 2D Image | 3'-{[(2S)-2-Ammonio-3-(4-hydroxyphenyl)propanoyl]amino}-3'-deoxy-N,N-dimethyladenosine | C21H28N7O5

3'-{[(2S)-2-Ammonio-3-(4-hydroxyphenyl)propanoyl]amino}-3'-deoxy-N,N-dimethyladenosine

  • Molecular FormulaC21H28N7O5
  • Average mass458.490 Da
  • Monoisotopic mass458.214630 Da
  • ChemSpider ID26331016
  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

3'-{[(2S)-2-Ammonio-3-(4-hydroxyphenyl)propanoyl]amino}-3'-deoxy-N,N-dimethyladenosine [ACD/IUPAC Name]
3'-{[(2S)-2-Ammonio-3-(4-hydroxyphenyl)propanoyl]amino}-3'-desoxy-N,N-dimethyladenosin [German] [ACD/IUPAC Name]
3'-{[(2S)-2-Ammonio-3-(4-hydroxyphényl)propanoyl]amino}-3'-désoxy-N,N-diméthyladénosine [French] [ACD/IUPAC Name]
Adenosine, 3'-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-dimethyl-, conjugate monoacid [ACD/Index Name]
3'-deoxy-N,N-dimethyl-3'-(L-tyrosiniumamido)adenosine
O-Demethylpuromycin
O-demethylpuromycin cation
O-demethylpuromycin(1+)

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.64
Polar Surface Area: 174 Å2
Polarizability:
Surface Tension:
Molar Volume:

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