Basic information
- CAS
12611-51-7- Standard SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[Nd+3]- InChIKey
QGSNBBYVXDXAOD-UHFFFAOYSA-K- Molecular formula
- C10H13N2NdO8
- Average molar mass
- 433.46 g/mol
- Monoisotopic mass
- 430.97492
Names & identifiers
- Preferred name
- Neodymate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, hydrogen (1:1), (OC-6-21)-
- IUPAC
- 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate;neodymium(3+)
Names & synonyms
12611-51-7RefChem:1092311Neodymate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, hydrogen (1:1), (OC-6-21)-Neodymium edetateNeodymium ethylenediaminetetraacetateDTXSID90925415Neodymate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO)(4-))-, hydrogen, (OC-6-21)-Neodymium 2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}azanediyl)diacetate
Database identifiers
- CAS
12611-51-7- PubChem CID
- 83023
- DTXSID
DTXSID90925415
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…