Molecule ID: 71296158

IUPAC Name: 6,8-dihydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-dioxoanthracene-1,3-diolate

Description: The molecule is an organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of (2S)-versicolorone. It is a conjugate base of a (2S)-versicolorone(1-).

SMILES: CC(=O)CC[C@H](CO)c1c(O)cc2c(c1O)C(=O)c1c([O-])cc([O-])cc1C2=O

SELFIES: [C][C][=Branch1][C][=O][C][C][C@H1][Branch1][Ring1][C][O][C][=C][Branch1][C][O][C][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][O-1][C][=C][Branch1][C][O-1][C][=C][Ring1][Branch2][C][Ring1][#C][=O]

InChI: InChI=1S/C20H18O8/c1-8(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/p-2/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 158.0 Ų
- LogP: 2.7