ethanoic acid; 2-(hydroxymethyl)-1-(2-methylpentyl)piperidine-3,4,5-triol

Systemtic Name: ethanoic acid; 2-(hydroxymethyl)-1-(2-methylpentyl)piperidine-3,4,5-triol Openeye Name: acetic acid; 2-(hydroxymethyl)-1-(2-methylpentyl)piperidine-3,4,5-triol CAS Name: acetic acid; 2-(hydroxymethyl)-1-(2-methylpentyl)piperidine-3,4,5-triol IUPAC Name: acetic acid; 2-(hydroxymethyl)-1-(2-methylpentyl)piperidine-3,4,5-triol Traditional Name: acetic acid; 2-methylol-1-(2-methylpentyl)piperidine-3,4,5-triol Formula: C20H41NO12 MolecularWeight: 487.53904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CN1CC(C(C(C1CO)O)O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCC(C)CN1CC(C(C(C1CO)O)O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C12H25NO4.4C2H4O2/c1-3-4-8(2)5-13-6-10(15)12(17)11(16)9(13)7-14;4*1-2(3)4/h8-12,14-17H,3-7H2,1-2H3;4*1H3,(H,3,4)