Molecule ID: 46224569

IUPAC Name: (2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-(methoxymethyl)oxan-2-yl]oxy-6-methyloxane-2,3,4-triol

Description: The molecule is a disaccharide derivative consisting of alpha-L-rhamnose having a 3,6-di-O-methyl-beta-D-glucosyl residue attached at the 4-position; corresponds to the carbohydrate portion of synthetic antigens containing the Mycobacterium leprae-specific epitope.

SMILES: COC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)O[C@H]2C)[C@H](O)[C@@H](OC)[C@@H]1O

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

InChI: InChI=1S/C14H26O10/c1-5-11(8(16)9(17)13(19)22-5)24-14-10(18)12(21-3)7(15)6(23-14)4-20-2/h5-19H,4H2,1-3H3/t5-,6+,7+,8-,9+,10+,11-,12-,13+,14-/m0/s1

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: -3.2