Basic information
- CAS
78472-83-0- Standard SMILES
O=C([O-])CCN1C(=O)C(=Cc2ccccc2)C(=O)N(CCC(=O)[O-])C1=O.[K+].[K+]- InChIKey
YBTGIGUSOPOIBO-UHFFFAOYSA-L- Molecular formula
- C17H14K2N2O7
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.0075138
Names & identifiers
- Preferred name
- 1,3-pyrimidinedipropionic acid, hexahydro-5-benzylidene-2,4,6-trioxo-, dipotassium salt
- IUPAC
- dipotassium;3-[5-benzylidene-3-(2-carboxylatoethyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanoate
Names & synonyms
Barbituric acid, 1,3-bis(2-carboxyethyl)-5-benzylidene-, dipotassium salt1,3-Pyrimidinedipropionic acid, hexahydro-5-benzylidene-2,4,6-trioxo-, dipotassium saltHexahydro-5-benzylidene-2,4,6-trioxo-1,3-pyrimidinedipropionic acid dipotassium salt78472-83-0DTXSID50229103RefChem:219745DTXCID30151594Dipotassium 3,3'-(5-benzylidene-2,4,6-trioxo-1,3-diazinane-1,3-diyl)dipropanoate
Database identifiers
- CAS
78472-83-0- PubChem CID
- 3061002
- DTXSID
DTXSID50229103- Nikkaji
- J86.916C
Properties
Computed structural properties
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…