dehydroascorbic acid   

GtoPdb Ligand ID: 4733

Synonyms: dehydroascorbate
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 100.9
Molecular weight 174.02
XLogP -1.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(C1OC(=O)C(=O)C1=O)O
Isomeric SMILES OC[C@@H]([C@H]1OC(=O)C(=O)C1=O)O
InChI InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1
InChI Key SBJKKFFYIZUCET-JLAZNSOCSA-N
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Isomeric SMILES Download
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InChI standard key Download

Molecular structure representations generated using Open Babel