A1H28

5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-chloranyl-benzoic acid


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Chemical Component Summary

Name5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-chloranyl-benzoic acid
Identifiers5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-chloranyl-benzoic acid
FormulaC17 H16 Cl N5 O5 S
Molecular Weight437.857
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1SC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O)Cl
InChIInChI=1S/C17H16ClN5O5S/c18-9-2-1-7(3-8(9)17(26)27)29-4-10-12(24)13(25)16(28-10)23-6-22-11-14(19)20-5-21-15(11)23/h1-3,5-6,10,12-13,16,24-25H,4H2,(H,26,27)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1
InChIKeyGDDRINPKJGQIPH-XNIJJKJLSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count4
Bond Count48
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 165116301