Basic information
- Standard SMILES
CC(=O)OCC(CNC(=O)c1c(I)c(NC(=O)OCC(C)(CO)COC(=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
DWUNLNUUZBDACO-UHFFFAOYSA-N- Molecular formula
- C51H60I6N6O25
- Average molar mass
- 1,918.5 g/mol
Names & identifiers
- Preferred name
- Acetic acid 2-acetoxy-3-[3-{2-[3,5-bis-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-phenylcarbamoyloxymethyl]-3-hydroxy-2-methyl-propoxycarbonylamino}-5-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]propyl ester
- IUPAC
- [2-acetyloxy-3-[[3-[[2-[[3,5-bis(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodophenyl]carbamoyloxymethyl]-3-hydroxy-2-methylpropoxy]carbonylamino]-5-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodobenzoyl]amino]propyl] acetate
Names & synonyms
SCHEMBL3042842DWUNLNUUZBDACO-UHFFFAOYSA-Nacetic acid 2-acetoxy-3-[3-{2-[3,5-bis-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-phenylcarbamoyloxymethyl]-3-hydroxy-2-methyl-propoxycarbonylamino}-5-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-benzoylamino]propyl ester
Database identifiers
- PubChem CID
- 86646402
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 424 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 41
- Heavy atoms
- 88
- Formal charge
- 0
- Complexity
- 2,210
Related reactions
1 records
Compound notes
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