3F5

5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine


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Chemical Component Summary

Name5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine
Identifiers2-[[(2R,3S,4R,5R)-5-[6-azanyl-8-(methylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy]ethanamide
FormulaC13 H19 N7 O5
Molecular Weight353.334
TypeNON-POLYMER
Isomeric SMILESCNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N
InChIInChI=1S/C13H19N7O5/c1-16-13-19-7-10(15)17-4-18-11(7)20(13)12-9(23)8(22)5(25-12)2-24-3-6(14)21/h4-5,8-9,12,22-23H,2-3H2,1H3,(H2,14,21)(H,16,19)(H2,15,17,18)/t5-,8-,9-,12-/m1/s1
InChIKeyYTEPWBADDXGTBX-JJNLEZRASA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count4
Bond Count46
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 45102751
ChEMBL CHEMBL1614761