Molecule ID: 91826599

IUPAC Name: (2R,4R,5R,6R)-6-[(1R)-2-azaniumyl-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylate

Description: The molecule is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 8-amino-3,8-dideoxy-alpha-D-manno-octulosonic acid; major species at pH 7.3. It is a tautomer of an 8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid.

SMILES: NC[C@@H](O)[C@H]1O[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O

SELFIES: [N][C][C@@H1][Branch1][C][O][C@H1][O][C@@][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C@H1][Ring1][O][O]

InChI: InChI=1S/C8H15NO7/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,10-12,15H,1-2,9H2,(H,13,14)/t3-,4-,5-,6-,8-/m1/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: -4.7