DTA

(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL]


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Chemical Component Summary

Name(2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL]
SynonymsDI-(5'-THIOADENOSINE)
Identifiers(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyldisulfanylmethyl]oxolane-3,4-diol
FormulaC20 H24 N10 O6 S2
Molecular Weight564.598
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N
InChIInChI=1S/C20H24N10O6S2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(35-19)1-37-38-2-8-12(32)14(34)20(36-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyHYGRWPFOTXXMNB-XPWFQUROSA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count8
Bond Count67
Aromatic Bond Count20

Related Resource References

Resource NameReference
PubChem 16741199
ChEMBL CHEMBL561654