Basic information
- Standard SMILES
CC(=O)OCC(CNC(=O)c1c(I)c(NC(=O)NCC(O)CNC(=O)Nc2c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c2I)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I)OC(C)=O- InChIKey
MKIFVFHCSFCKRV-UHFFFAOYSA-N- Molecular formula
- C49H58I6N8O23
- Average molar mass
- 1,888.4 g/mol
- Monoisotopic mass
- 1,887.7883
Names & identifiers
- Preferred name
- Acetic acid 2-acetoxy-3-[3-[3-(3-{3-[3,5-bis-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo phenyl]-ureido}-2-hydroxy-propyl)-ureido]-5-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]-propyl ester
- IUPAC
- [2-acetyloxy-3-[[3-[[3-[[3,5-bis(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodophenyl]carbamoylamino]-2-hydroxypropyl]carbamoylamino]-5-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodobenzoyl]amino]propyl] acetate
Names & synonyms
SCHEMBL3046706MKIFVFHCSFCKRV-UHFFFAOYSA-NAcetic acid 2-acetoxy-3-[3-[3-(3-{3-[3,5-bis-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo phenyl]-ureido}-2-hydroxy-propyl)-ureido]-5-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]-propyl ester
Database identifiers
- PubChem CID
- 86646401
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 429 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 38
- Heavy atoms
- 86
- Formal charge
- 0
- Complexity
- 2,140
Related reactions
1 records
Compound notes
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