Basic information
- CAS
19080-54-7- Standard SMILES
CCNC(=O)c1c(I)c(OC(CC)C(=O)[O-])c(I)c(C(=O)NCC)c1I.C[NH2+]CC(O)C(O)C(O)C(O)CO- InChIKey
PIDWLOWMFNWXGZ-UHFFFAOYSA-N- Molecular formula
- C23H36I3N3O10
- Average molar mass
- 895.3 g/mol
- Monoisotopic mass
- 894.9535
Names & identifiers
- Preferred name
- Butyric acid, 2-(3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy)-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
- IUPAC
- 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
Names & synonyms
19080-54-7RefChem:3312342-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate;methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
Database identifiers
- CAS
19080-54-7- PubChem CID
- 29418
Properties
Computed structural properties
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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