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5'-(Sulfonylbenzoyl)adenosine , CAS No.57454-44-1
Basic Description
Synonyms | 5'-(Sulfonylbenzoyl)adenosine | ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 4-(fluorosulfonyl)benzoate | DTXSID00972930 | BDBM50292495 | 5'-[p-(fluorosulphonyl)benzoyl]adenosine | PD137812 | Adenosine, 5'-(4-(fluorosu |
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Associated Targets(Human)
Associated Targets(non-human)
Names and Identifiers
IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-fluorosulfonylbenzoate |
INCHI | InChI=1S/C17H16FN5O7S/c18-31(27,28)9-3-1-8(2-4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 |
InChi Key | AQZGKOBMIMVGMG-XNIJJKJLSA-N |
Canonical SMILES | C1=CC(=CC=C1C(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)S(=O)(=O)F |
Isomeric SMILES | C1=CC(=CC=C1C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)S(=O)(=O)F |
PubChem CID | 133129 |
Molecular Weight | 453.4 |
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