Basic information
- CAS
142958-33-6- Standard SMILES
COc1ccc(-c2cc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)nc(-c3cccc(CN(CC(=O)[O-])CC(=O)[O-])n3)c2)cc1N=C=S.[Na+].[Na+].[Na+].[Na+]- InChIKey
UAFBBLZEQSKFBK-UHFFFAOYSA-J- Molecular formula
- C33H26N6Na4O9S
- Average molar mass
- 774.6 g/mol
- Monoisotopic mass
- 774.10727473
Names & identifiers
- Preferred name
- Glycine, N,N'-((4'-(3-isothiocyanato-4-methoxyphenyl)(2,2':6',2''-terpyridine)-6,6''-diyl)bis(methylene))bis(N-(carboxymethyl)-, tetrasodium salt
- IUPAC
- tetrasodium;2-[[6-[6-[6-[[bis(carboxylatomethyl)amino]methyl]-2-pyridinyl]-4-(3-isothiocyanato-4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]methyl-(carboxylatomethyl)amino]acetate
Names & synonyms
142958-33-6Glycine, N,N'-((4'-(3-isothiocyanato-4-methoxyphenyl)(2,2':6',2''-terpyridine)-6,6''-diyl)bis(methylene))bis(N-(carboxymethyl)-, tetrasodium saltDTXSID00162238Tetrasodium 2,2',2'',2'''-{[2~4~-(3-isothiocyanato-4-methoxyphenyl)[1~2~,2~2~:2~6~,3~2~-terpyridine]-1~6~,3~6~-diyl]bis(methylenenitrilo)}tetraacetate
Database identifiers
- CAS
142958-33-6- PubChem CID
- 178669
- DTXSID
DTXSID00162238- Nikkaji
- J754.955E
Properties
Computed structural properties
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 13
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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