ChemSpider 2D Image | 5'-{[2-({N-[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | C23H30N12O8S

5'-{[2-({N-[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine

  • Molecular FormulaC23H30N12O8S
  • Average mass634.625 Da
  • Monoisotopic mass634.203003 Da
  • ChemSpider ID28528931

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-{[2-({N-[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine [ACD/IUPAC Name]
5'-{[2-({N-[(2-Amino-7,7-dimethyl-4-oxo-1,4,7,8-tetrahydro-6-pteridinyl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-desoxyadenosin [German] [ACD/IUPAC Name]
5'-{[2-({N-[(2-Amino-7,7-diméthyl-4-oxo-1,4,7,8-tétrahydro-6-ptéridinyl)carbonyl]glycyl}amino)éthyl]sulfonyl}-5'-désoxyadénosine [French] [ACD/IUPAC Name]
5'-{[2-({n-[(2-Amino-7,7-Dimethyl-4-Oxo-3,4,7,8-Tetrahydropteridin-6-Yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-Deoxyadenosine
Adenosine, 5'-[[2-[[2-[[(2-amino-3,4,7,8-tetrahydro-7,7-dimethyl-4-oxo-6-pteridinyl)carbonyl]amino]acetyl]amino]ethyl]sulfonyl]-5'-deoxy- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.870
Molar Refractivity: 146.6±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.56
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 100.9±7.0 dyne/cm
Molar Volume: 322.8±7.0 cm3

Click to predict properties on the Chemicalize site


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