Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid
Basic information
- CAS
499-09-2- Standard SMILES
O=C1NC(=O)NC(C(=O)O)N1- InChIKey
IRFZLMWJJPULRF-UHFFFAOYSA-N- Molecular formula
- C4H5N3O4
- Average molar mass
- 159.1 g/mol
- Monoisotopic mass
- 159.02800565
Overview
Dihydro-5-azaorotic acid is a monocarboxylic acid and a member of 1,3,5-triazinanes.
Names & identifiers
- Preferred name
- Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid
- IUPAC
- 4,6-dioxo-1,3,5-triazinane-2-carboxylic acid
- English name
- dihydro-5-azaorotic acid
- Molecular formula
- C4H5N3O4
- Molecular weight
- 159.1
Names & synonyms
Dihydro-5-azaorotic acid4,6-dioxo-1,3,5-triazinane-2-carboxylic acid499-09-25-Aza-5,6-dihydroorotic acidDHOXTMD76G6TAUNSC-320932CHEBI:44725DTXSID70198140hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid1,3,5-Triazine-2-carboxylic acid, hexahydro-4,6-dioxo-RefChem:133702
Show more names
DTXCID00120631HYDROXONIC ACIDUNII-TMD76G6TAUSCHEMBL12601190NSC320932NSC 320932Q271045371,5-Triazine-2-carboxylic acid, hexahydro-4,6-dioxo-
Database identifiers
- CAS
499-09-2- PubChem CID
- 100562
- DTXSID
DTXSID70198140- ChEBI
CHEBI:44725- UNII
- TMD76G6TAU
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- FDA UNII
- 76 G6TAU · TMD76G6TAU
Chemistry & industry
Additional notes
DefinitionChEBI: Dihydro-5-azaorotic acid is a member of 1,3,5-triazinanes and a monocarboxylic acid.
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