Basic information
- CAS
67227-34-3- Standard SMILES
CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NCC(=O)O)c1I- InChIKey
KOLFHGBWHDCIHT-UHFFFAOYSA-N- Molecular formula
- C13H12I3N3O5
- Average molar mass
- 670.96 g/mol
- Monoisotopic mass
- 670.7911
Names & identifiers
- Preferred name
- Glycin, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-
- IUPAC
- 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetic acid
- English name
- N-[3-(Acetylamino)-5-methylaminocarbonyl-2,4,6-triiodobenzoyl]glycine
- Molecular formula
- C19H16I3N3O6
- Molecular weight
- 763.06
Names & synonyms
GLYCIN, N-(3-ACETAMIDO-5-METHYLCARBAMOYL-2,4,6-TRIIODOBENZOYL)-N-(3-Acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)glycin67227-34-3DTXSID20217552RefChem:346228DTXCID70140043SCHEMBL11694200N-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]glycineN-[3-(Acetylamino)-5-methylaminocarbonyl-2,4,6-triiodobenzoyl]glycineGlycine, N-[3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]-N-(4-hydroxyphenyl)-
Database identifiers
- CAS
67227-34-3- PubChem CID
- 49650
- DTXSID
DTXSID20217552- Nikkaji
- J75.676H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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