Chemical Component Summary

Name5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE
Synonyms(2S,3S,4R,5R)-N-(2-AMINOETHYL)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE
Identifiers(2S,3S,4R,5R)-N-(2-aminoethyl)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolane-2-carboxamide
FormulaC12 H17 N7 O4
Molecular Weight323.308
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N
InChIInChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1
InChIKeyXZUQLQNOMFGRFJ-FLNNQWSLSA-N

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count4
Bond Count42
Aromatic Bond Count10

Related Resource References

Resource NameReference
Pharos CHEMBL129903
PubChem 9996282
ChEMBL CHEMBL129903