3-[3-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Basic information
- CAS
56875-79-7- Standard SMILES
O=C(O)c1cc(=O)n(CCCn2c(=O)cc(C(=O)O)[nH]c2=O)c(=O)[nH]1- InChIKey
OXIFBPNLLIVCCP-UHFFFAOYSA-N- Molecular formula
- C13H12N4O8
- Average molar mass
- 352.26 g/mol
- Monoisotopic mass
- 352.06551335
Names & identifiers
- Preferred name
- 3-[3-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
- IUPAC
- 3-[3-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Names & synonyms
NSC24100956875-79-7DTXSID90311278NSC-2410091,1'-(Propane-1,3-diyl)bis(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid)
Database identifiers
- CAS
56875-79-7- PubChem CID
- 315568
- DTXSID
DTXSID90311278
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 691
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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