Basic information
- CAS
129005-21-6- Standard SMILES
C[S+](C)CCC(N)C(=O)[O-].Cl.O=C([O-])CCC(=O)C(=O)[O-].[Co+2]- InChIKey
WVMIRFPRHOPKIZ-UHFFFAOYSA-L- Molecular formula
- C11H18ClCoNO7S
- Average molar mass
- 402.71 g/mol
- Monoisotopic mass
- 401.982444
Names & identifiers
- Preferred name
- Cobalt(2+) 2-oxopentanedioate--2-amino-4-(dimethylsulfaniumyl)butanoate--hydrogen chloride (1/1/1/1)
- IUPAC
- 2-amino-4-dimethylsulfoniobutanoate;cobalt(2+);2-oxopentanedioate;hydrochloride
Names & synonyms
DTXSID80926279Cobalt(2+) 2-oxopentanedioate--2-amino-4-(dimethylsulfaniumyl)butanoate--hydrogen chloride (1/1/1/1)RefChem:1082058DTXCID101355095129005-21-6alpha-Ketoglutarato-O,I(sup alpha)-chloro-S-methylmethioninato-O,N-cobalt (II)((3-Amino-3-carboxypropyl)dimethylsulfoniumato-N,O)(2-oxopentanedioato(2-)-O1,O2)cobalt hydrochloridealpha-Ketoglutarato-O,1alpha-chloro-S-methylmethioninato-O,N-cobalt(II)Cobalt, ((3-amino-3-carboxypropyl)dimethylsulfoniumato-N,O)(2-oxopentanedioato(2-)-O(sup 1),O(sup 2))-, hydrochlorideCobalt, ((3-amino-3-carboxypropyl)dimethylsulfoniumato-N,O)(2-oxopentanedioato(2-)-O1,O2)-, hydrochloride
Database identifiers
- CAS
129005-21-6- PubChem CID
- 3075855
- DTXSID
DTXSID80926279
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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