Samarate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, hydrogen, (OC-6-21)-
Basic information
- CAS
12611-57-3- Standard SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[H+].[Sm+3]- InChIKey
CPFWKQAYWFSNFQ-UHFFFAOYSA-K- Molecular formula
- C10H13N2O8Sm
- Average molar mass
- 439.6 g/mol
- Monoisotopic mass
- 440.98693
Names & identifiers
- Preferred name
- Samarate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, hydrogen, (OC-6-21)-
- IUPAC
- 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron;samarium(3+)
Names & synonyms
12611-57-3RefChem:1098330Samarate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, hydrogen, (OC-6-21)-Samarium edetate
Database identifiers
- CAS
12611-57-3- PubChem CID
- 114604
Properties
Computed structural properties
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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