Basic information
- CAS
4914-65-2- Standard SMILES
CNCC(O)C(O)C(O)C(O)CO.O=C(COCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
FRMWIRNTYJSUHV-UHFFFAOYSA-N- Molecular formula
- C25H27I6N3O12
- Average molar mass
- 1,322.9 g/mol
- Monoisotopic mass
- 1,322.5863
Names & identifiers
- Preferred name
- CID 21023
- IUPAC
- 3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Names & synonyms
4914-65-2AC1L2HGUDTXSID302746913,3'-{Oxybis[(1-oxoethane-2,1-diyl)azanediyl]}bis(2,4,6-triiodobenzoic acid)--1-deoxy-1-(methylamino)hexitol (1/1)3-[[2-[2-(3-Carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Database identifiers
- CAS
4914-65-2- PubChem CID
- 21023
- DTXSID
DTXSID30274691
Properties
Computed structural properties
- Topological polar surface area
- 255 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 836
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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