Molecule ID: 54750751

IUPAC Name: bis[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] dodecanedioate

Description: The molecule is a diester and a member of dicarboxylic acids and O-substituted derivatives. It has a role as a bolaamphiphile. It derives from a L-ascorbic acid and a dodecanedioic acid.

SMILES: O=C(CCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O

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

InChI: InChI=1S/C24H34O14/c25-13(21-17(29)19(31)23(33)37-21)11-35-15(27)9-7-5-3-1-2-4-6-8-10-16(28)36-12-14(26)22-18(30)20(32)24(34)38-22/h13-14,21-22,25-26,29-32H,1-12H2/t13-,14-,21+,22+/m0/s1

Molecular Properties:
- Polar Surface Area: 227.0 Ų
- LogP: 2.2