Bis[1-deoxy-1-(methylammonio)-D-glucitol] 3,3'-(adipoyldiimino)bis[2,4,6-triiodo-5-(N-methylcarbamoyl)benzoate]
Basic information
- CAS
54605-45-7- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I.CNCC(O)C(O)C(O)C(O)CO.CNCC(O)C(O)C(O)C(O)CO- InChIKey
HOBKVSAGFBYKRQ-UHFFFAOYSA-N- Molecular formula
- C38H54I6N6O18
- Average molar mass
- 1,644.3 g/mol
- Monoisotopic mass
- 1,643.7763
Names & identifiers
- Preferred name
- Bis[1-deoxy-1-(methylammonio)-D-glucitol] 3,3'-(adipoyldiimino)bis[2,4,6-triiodo-5-(N-methylcarbamoyl)benzoate]
- IUPAC
- 3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;bis(6-(methylamino)hexane-1,2,3,4,5-pentol)
Names & synonyms
54605-45-7Bis[1-deoxy-1-(methylammonio)-D-glucitol] 3,3'-(adipoyldiimino)bis[2,4,6-triiodo-5-(N-methylcarbamoyl)benzoate]
Database identifiers
- CAS
54605-45-7- PubChem CID
- 41134
- EC Number
- 259-252-7
Properties
Computed structural properties
- Topological polar surface area
- 417 Ų
- Hydrogen bond donors
- 18
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 23
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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