52H

5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine


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Chemical Component Summary

Name5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosine
Synonyms5'-O-(3,3-Dimethyl-2-hydroxybutyrylsulfamoyl) adenosine
Identifiers[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl N-[(2R)-2-hydroxy-3,3-dimethyl-butanoyl]sulfamate
FormulaC16 H24 N6 O8 S
Molecular Weight460.462
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O
InChIInChI=1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10-,11+,15-/m1/s1
InChIKeyXLQHUZMFAIRQAT-YEFHITBRSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count5
Bond Count57
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 24941244
ChEMBL CHEMBL1230349