Basic information
- CAS
67227-33-2- Standard SMILES
CC(=O)Nc1c(I)c(C(N)=O)c(I)c(C(=O)NCC(=O)O)c1I- InChIKey
JEEBABYLDYQJPC-UHFFFAOYSA-N- Molecular formula
- C12H10I3N3O5
- Average molar mass
- 656.94 g/mol
- Monoisotopic mass
- 656.7755
Names & identifiers
- Preferred name
- Glycin, N-(3-acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)-
- IUPAC
- 2-[(3-acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)amino]acetic acid
- English name
- N-[3-(Acetylamino)-5-carbamoyl-2,4,6-triiodobenzoyl]glycine
- Molecular formula
- C18H14I3N3O6
- Molecular weight
- 749.03
Names & synonyms
N-(3-Acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)glycin67227-33-2GLYCIN, N-(3-ACETAMIDO-5-CARBAMOYL-2,4,6-TRIIODOBENZOYL)-DTXSID60217551RefChem:346227DTXCID10140042SCHEMBL11690984NS00040926N-(3-Acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)glycineN-[3-(Acetylamino)-5-carbamoyl-2,4,6-triiodobenzoyl]glycineGlycine, N-[3-(acetylamino)-5-(aminocarbonyl)-2,4,6-triiodobenzoyl]-N-(4-hydroxyphenyl)-
Database identifiers
- CAS
67227-33-2- PubChem CID
- 49649
- DTXSID
DTXSID60217551- Nikkaji
- J75.675J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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