6-(methylamino)hexane-1,2,3,4,5-pentol dihydrate

Systemtic Name: 6-(methylamino)hexane-1,2,3,4,5-pentol dihydrate Openeye Name: 6-(methylamino)hexane-1,2,3,4,5-pentol dihydrate CAS Name: 6-(methylamino)hexane-1,2,3,4,5-pentol dihydrate IUPAC Name: 6-(methylamino)hexane-1,2,3,4,5-pentol dihydrate Traditional Name: 6-(methylamino)hexane-1,2,3,4,5-pentol dihydrate Formula: C7H21NO7 MolecularWeight: 231.24414

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C(C(C(CO)O)O)O)O.O.O

Isomeric SMILES

CNCC(C(C(C(CO)O)O)O)O.O.O

InChI

InChI=1S/C7H17NO5.2H2O/c1-8-2-4(10)6(12)7(13)5(11)3-9;;/h4-13H,2-3H2,1H3;2*1H2