Basic information
- CAS
5497-52-9- Standard SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Cu+2]- InChIKey
CWDDQLYGZDTSFU-UHFFFAOYSA-J- Molecular formula
- C10H12CaCuN2O8
- Average molar mass
- 391.83 g/mol
- Monoisotopic mass
- 390.951553
Names & identifiers
- Preferred name
- Calcium;copper;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
- IUPAC
- calcium;copper;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
Names & synonyms
SCHEMBL22654038CWDDQLYGZDTSFU-UHFFFAOYSA-JCalcium copper(2+) 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate (1/1/1)calcium;copper;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
Database identifiers
- CAS
5497-52-9、66317-91-7- PubChem CID
- 47897
- DTXSID
DTXSID40216527
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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