Basic information
- CAS
84371-05-1- Standard SMILES
[O]c1c(O)c2[nH]c(C(=O)O)cc(C(=O)O)c2c2nc(C(=O)O)cc12- InChIKey
IWDUNOTYQHQMCF-UHFFFAOYSA-N- Molecular formula
- C14H7N2O8
- Average molar mass
- 331.21 g/mol
- Monoisotopic mass
- 331.02024019
Overview
Pyrroloquinoline semiquinone is a semiquinone, a pyrroloquinoline cofactor and a tricarboxylic acid.
Names & identifiers
- Preferred name
- 2,7,9-Tricarboxypyrrolo(2,3-f)quinoline-4-ol-5-one
- English name
- 2,7,9-tricarboxypyrrolo(2,3-f)quinoline-4-ol-5-one
- Molecular formula
- C14H7N2O8
- Molecular weight
- 0
Names & synonyms
Pyrrolo-quinoline semiquinone2,7,9-Tricarboxypyrrolo(2,3-f)quinoline-4-ol-5-one84371-05-1pyrroloquinoline semiquinone2,7,9-Tricarboxy-1H-pyrrolo(2,3-f)quinoline-4-one-5-ol(2,7,9-tricarboxy-5-hydroxy-1H-pyrrolo[2,3-f]quinolin-4-yl)oxidanyl2,7,9-tricarboxy-1H-pyrrolo (2,3-f)quinoline-4-one-5-ol1H-Pyrrolo(2,3-f)quinolin-4-yloxy, 2,7,9-tricarboxy-5-hydroxy-1H-Pyrrolo[2,3-f]quinolin-4-yloxy, 2,7,9-tricarboxy-5-hydroxy-CHEBI:48452DTXSID00233351Pqqh
Database identifiers
- CAS
84371-05-1- PubChem CID
- 134752
- DTXSID
DTXSID00233351- ChEBI
CHEBI:48452
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 926
Chemistry & industry
Additional notes
DefinitionChEBI: Pyrroloquinoline semiquinone is a pyrroloquinoline cofactor, a semiquinone and a tricarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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