(2S,3R,4R,5S,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-4-fluoranyl-2-oxidanyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: (2S,3R,4R,5S,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-4-fluoranyl-2-oxidanyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: (2S,3R,4R,5S,6R)-2-[5-(benzothiophen-2-ylmethyl)-4-fluoro-2-hydroxy-phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: (2S,3R,4R,5S,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-4-fluoro-2-hydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: (2S,3R,4R,5S,6R)-2-[5-(1-benzothiophen-2-ylmethyl)-4-fluoro-2-hydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: (2S,3R,4R,5S,6R)-2-[5-(benzothiophen-2-ylmethyl)-4-fluoro-2-hydroxy-phenyl]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C21H21FO6S MolecularWeight: 420.451243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=C(C(=C3)C4C(C(C(C(O4)CO)O)O)O)O)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CC3=C(C=C(C(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)F

InChI

InChI=1S/C21H21FO6S/c22-14-8-15(24)13(21-20(27)19(26)18(25)16(9-23)28-21)7-11(14)6-12-5-10-3-1-2-4-17(10)29-12/h1-5,7-8,16,18-21,23-27H,6,9H2/t16-,18-,19+,20-,21+/m1/s1