Glycine, N-(3-hydroxyacetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-
Basic information
- CAS
67227-35-4- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)CO)c(I)c(C(=O)NCC(=O)O)c1I- InChIKey
XMLNABQODRQUSO-UHFFFAOYSA-N- Molecular formula
- C13H12I3N3O6
- Average molar mass
- 686.96 g/mol
- Monoisotopic mass
- 686.786
Names & identifiers
- Preferred name
- Glycine, N-(3-hydroxyacetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-
- IUPAC
- 2-[[3-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetic acid
- English name
- N-[3-[(Hydroxyacetyl)amino]-5-methylaminocarbonyl-2,4,6-triiodobenzoyl]glycine
- Molecular formula
- C19H16I3N3O7
- Molecular weight
- 779.06
Names & synonyms
GLYCINE, N-(3-HYDROXYACETAMIDO-5-METHYLCARBAMOYL-2,4,6-TRIIODOBENZOYL)-67227-35-4N-(3-Hydroxyacetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)glycinDTXSID80217553RefChem:346478DTXCID30140044SCHEMBL11693037N-[3-(2-Hydroxyacetamido)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]glycineN-[3-[(Hydroxyacetyl)amino]-5-methylaminocarbonyl-2,4,6-triiodobenzoyl]glycineGlycine, N-[3-[(hydroxyacetyl)amino]-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]-N-(4-hydroxyphenyl)- (9CI)
Database identifiers
- CAS
67227-35-4- PubChem CID
- 49651
- DTXSID
DTXSID80217553- Nikkaji
- J75.729B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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