Molecule ID: 446576

IUPAC Name: (1R,5S,8S)-3,3-dihydroxy-5-methyl-2,4,6-trioxa-3-boranuidabicyclo[3.3.0]octane-1,8-diol

Description: The molecule is an organic anion that is a borate diester derived from a furanose and acts a universal signal molecule mediating intra- and interspecies communication among bacteria. It has a role as an autoinducer and a bacterial metabolite.

SMILES: C[C@]12OC[C@H](O)[C@@]1(O)O[B-](O)(O)O2

SELFIES: [C][C@][O][C][C@H1][Branch1][C][O][C@@][Ring1][=Branch1][Branch1][C][O][O][B-1][Branch1][C][O][Branch1][C][O][O][Ring1][N]

InChI: InChI=1S/C5H10BO7/c1-4-5(8,3(7)2-11-4)13-6(9,10)12-4/h3,7-10H,2H2,1H3/q-1/t3-,4+,5+/m0/s1

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: nan