(2S,3S,4S,5R,6R)-6-[1-[[2-(1-hydroxyethyl)-1-benzofuran-7-yl]oxy]-3-(propan-2-ylamino)propan-2-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[1-[[2-(1-hydroxyethyl)-1-benzofuran-7-yl]oxy]-3-(propan-2-ylamino)propan-2-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[[2-(1-hydroxyethyl)benzofuran-7-yl]oxymethyl]-2-(isopropylamino)ethoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[[2-(1-hydroxyethyl)-7-benzofuranyl]oxy]-3-(propan-2-ylamino)propan-2-yl]oxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[[2-(1-hydroxyethyl)-1-benzofuran-7-yl]oxy]-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1-[[2-(1-hydroxyethyl)benzofuran-7-yl]oxymethyl]-2-(isopropylamino)ethoxy]tetrahydropyran-2-carboxylic acid Formula: C22H31NO10 MolecularWeight: 469.48224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(C)O)OC3C(C(C(C(O3)C(=O)O)O)O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1OC(=C2)C(C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

InChI

InChI=1S/C22H31NO10/c1-10(2)23-8-13(31-22-18(27)16(25)17(26)20(33-22)21(28)29)9-30-14-6-4-5-12-7-15(11(3)24)32-19(12)14/h4-7,10-11,13,16-18,20,22-27H,8-9H2,1-3H3,(H,28,29)/t11?,13?,16-,17-,18+,20-,22+/m0/s1