Molecule ID: 135563659

IUPAC Name: 9-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoic acid

Description: The molecule is a dicarboxylic acid monoester resulting from the formal condensation of the carboxy group of nonanedioic acid with the hydroxy group of hexopyranose. It has a role as a plant metabolite. It is a glycoside, an organic hydroxy compound and a dicarboxylic acid monoester. It derives from a nonanedioic acid.

SMILES: O=C(O)CCCCCCCC(=O)OC1OC(CO)C(O)C(O)C1O

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O]

InChI: InChI=1S/C15H26O9/c16-8-9-12(20)13(21)14(22)15(23-9)24-11(19)7-5-3-1-2-4-6-10(17)18/h9,12-16,20-22H,1-8H2,(H,17,18)

Molecular Properties:
- Polar Surface Area: 154.0 Ų
- LogP: -0.2