Molecule ID: 90659834

IUPAC Name: (2S,3R,4S,5R,6R)-6-(3-aminopropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Description: The molecule is a galactosiduronic acid in which beta-D-galacturonic acid is linked glycosidically to a 3-aminopropyl group. It is a conjugate acid of a 3-aminopropyl beta-D-galactopyranosiduronate.

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

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

InChI: InChI=1S/C9H17NO7/c10-2-1-3-16-9-6(13)4(11)5(12)7(17-9)8(14)15/h4-7,9,11-13H,1-3,10H2,(H,14,15)/t4-,5+,6+,7-,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 143.0 Ų
- LogP: -4.7