Basic information
- CAS
71746-11-7- Standard SMILES
CNC(=O)c1c(I)c(C[N+](C)(CC(O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(I)c(NC(C)=O)c1I.[Cl-]- InChIKey
PUVYNKNURRAWLH-CKOJLFTCSA-N- Molecular formula
- C21H33ClI3N3O9
- Average molar mass
- 887.7 g/mol
- Monoisotopic mass
- 886.904
Names & identifiers
- Preferred name
- D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chloride
- IUPAC
- [3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]methyl-(2,3-dihydroxypropyl)-methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]azanium chloride
Names & synonyms
71746-11-7D-Glucammonium, N-(3-acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, chlorideRefChem:336488Q26840921[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzyl]-glyceryl-methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]ammonium;chloride
Database identifiers
- CAS
71746-11-7- PubChem CID
- 3054751
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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