Basic information
- Standard SMILES
CC(=O)OCc1c(I)c(NC(=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- InChIKey
BIPAXPIRVUMCCN-UHFFFAOYSA-N- Molecular formula
- C40H43I6N5O18
- Average molar mass
- 1,643.2 g/mol
Names & identifiers
- Preferred name
- N-[3-acetoxymethyl-5-(2,3-diacetoxypropylaminocarbonyl)-2,4,6-triiodophenyl]-N'[3,5-bis(2,3-diacetoxypropylaminocarbonyl)-2,4,6-triiodophenyl]urea
- IUPAC
- [3-[[3,5-bis(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodophenyl]carbamoylamino]-5-(2,3-diacetyloxypropylcarbamoyl)-2,4,6-triiodophenyl]methyl acetate
Names & synonyms
SCHEMBL7594756BIPAXPIRVUMCCN-UHFFFAOYSA-NN-[3-acetoxymethyl-5-(2,3-diacetoxypropylaminocarbonyl)-2,4,6-triiodophenyl]-N'[3,5-bis(2,3-diacetoxypropylaminocarbonyl)-2,4,6-triiodophenyl]urea
Database identifiers
- PubChem CID
- 18429324
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 313 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 29
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,820
Related reactions
1 records
Compound notes
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