A6D

(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol


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Chemical Component Summary

Name(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-{[(3-nitrobenzyl)disulfanyl]methyl}tetrahydrofuran-3,4-diol
Identifiers(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[(3-nitrophenyl)methyldisulfanylmethyl]oxolane-3,4-diol
FormulaC17 H18 N6 O5 S2
Molecular Weight450.492
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
InChIInChI=1S/C17H18N6O5S2/c18-15-12-16(20-7-19-15)22(8-21-12)17-14(25)13(24)11(28-17)6-30-29-5-9-2-1-3-10(4-9)23(26)27/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
InChIKeyUWYQTICCMFSWOE-LSCFUAHRSA-N

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count4
Bond Count51
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 44472888
ChEMBL CHEMBL1230737