[(2R,3R,4R,5S)-3,4,5-tris(oxidanyl)-1-(6-propoxyhexyl)piperidin-2-yl]methyl butanoate

Systemtic Name: [(2R,3R,4R,5S)-3,4,5-tris(oxidanyl)-1-(6-propoxyhexyl)piperidin-2-yl]methyl butanoate Openeye Name: [(2R,3R,4R,5S)-3,4,5-trihydroxy-1-(6-propoxyhexyl)-2-piperidyl]methyl butanoate CAS Name: butanoic acid [(2R,3R,4R,5S)-3,4,5-trihydroxy-1-(6-propoxyhexyl)-2-piperidinyl]methyl ester IUPAC Name: [(2R,3R,4R,5S)-3,4,5-trihydroxy-1-(6-propoxyhexyl)piperidin-2-yl]methyl butanoate Traditional Name: butyric acid [(2R,3R,4R,5S)-3,4,5-trihydroxy-1-(6-propoxyhexyl)-2-piperidyl]methyl ester Formula: C19H37NO6 MolecularWeight: 375.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1C(C(C(CN1CCCCCCOCCC)O)O)O

Isomeric SMILES

CCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](CN1CCCCCCOCCC)O)O)O

InChI

InChI=1S/C19H37NO6/c1-3-9-17(22)26-14-15-18(23)19(24)16(21)13-20(15)10-7-5-6-8-12-25-11-4-2/h15-16,18-19,21,23-24H,3-14H2,1-2H3/t15-,16+,18-,19-/m1/s1