Basic information
- CAS
19080-47-8- Standard SMILES
CCC(Oc1c(I)c(C(=O)NC)c(I)c(C(=O)NC)c1I)C(=O)[O-].C[NH2+]CC(O)C(O)C(O)C(O)CO- InChIKey
DYKAWQNMRVUWTQ-UHFFFAOYSA-N- Molecular formula
- C21H32I3N3O10
- Average molar mass
- 867.2 g/mol
- Monoisotopic mass
- 866.9222
Names & identifiers
- Preferred name
- Butyric acid, 2-(3,5-bis(methylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
- IUPAC
- methyl(2,3,4,5,6-pentahydroxyhexyl)azanium;2-[2,4,6-triiodo-3,5-bis(methylcarbamoyl)phenoxy]butanoate
Names & synonyms
19080-47-8RefChem:331235C14H15I3N2O5.C7H17NO5
Database identifiers
- CAS
19080-47-8- PubChem CID
- 29414
Properties
Computed structural properties
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 592
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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