Molecule ID: 8567

IUPAC Name: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

Description: The molecule is a hexosamine that is D-glucitol in which the hydroxy group at position 1 is substituted by the nitrogen of a methylamino group. A crystalline base, it is used in preparing salts of certain acids for use as diagnostic radiopaque media, while its antimonate is used as an antiprotozoal in the treatment of leishmaniasis. It is a hexosamine and a secondary amino compound.

SMILES: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

SELFIES: [C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]

InChI: InChI=1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: -2.8