Chemical Component Summary

Name5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
IdentifiersN-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-(2-hydroxyphenyl)ethanesulfonamide
FormulaC18 H22 N6 O6 S
Molecular Weight450.469
TypeNON-POLYMER
Isomeric SMILESc1ccc(c(c1)CCS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O
InChIInChI=1S/C18H22N6O6S/c19-16-13-17(21-8-20-16)24(9-22-13)18-15(27)14(26)12(30-18)7-23-31(28,29)6-5-10-3-1-2-4-11(10)25/h1-4,8-9,12,14-15,18,23,25-27H,5-7H2,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
InChIKeyNIEGSPNRJDKALY-SCFUHWHPSA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count4
Bond Count56
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 137350022