Molecule ID: 131801211

IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(2R,3S,4S,5R,6S)-6-(5-aminopentoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Description: The molecule is a disaccharide derivative consisting of an alpha-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-6 an alpha-D-glucosyluronic acid residue. It is a disaccharide derivative and a glycoside.

SMILES: NCCCCCO[C@H]1O[C@H](CO[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

SELFIES: [N][C][C][C][C][C][O][C@H1][O][C@H1][Branch2][Ring1][=Branch2][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][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=Branch1][O]

InChI: InChI=1S/C17H31NO12/c18-4-2-1-3-5-27-16-12(23)9(20)8(19)7(29-16)6-28-17-13(24)10(21)11(22)14(30-17)15(25)26/h7-14,16-17,19-24H,1-6,18H2,(H,25,26)/t7-,8-,9+,10+,11+,12-,13-,14+,16+,17+/m1/s1

Molecular Properties:
- Polar Surface Area: 222.0 Ų
- LogP: -6.1