IXN

2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine


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Chemical Component Summary

Name2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine
Synonyms2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine
Identifiers[(2R,3S,4R,5R)-5-[6-azanyl-2-(4-dodecyl-1,2,3-triazol-1-yl)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl N-(2-hydroxyphenyl)carbonylsulfamate
FormulaC31 H43 N9 O8 S
Molecular Weight701.794
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N
InChIInChI=1S/C31H43N9O8S/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-40(38-36-20)31-34-27(32)24-28(35-31)39(19-33-24)30-26(43)25(42)23(48-30)18-47-49(45,46)37-29(44)21-15-12-13-16-22(21)41/h12-13,15-17,19,23,25-26,30,41-43H,2-11,14,18H2,1H3,(H,37,44)(H2,32,34,35)/t23-,25-,26-,30-/m1/s1
InChIKeyIZIYHQKZTVZLLO-NYBSAPDNSA-N

Chemical Details

Formal Charge0
Atom Count92
Chiral Atom Count4
Bond Count96
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 25158419
ChEMBL CHEMBL1198807