Benzoic acid, 3,3'-(pimeloyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodo-
Basic information
- CAS
25903-29-1- Standard SMILES
CCCC(=O)NCc1c(I)c(NC(=O)CCCCCC(=O)Nc2c(I)c(CNC(=O)CCC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
CSEUCNSOUPZKGZ-UHFFFAOYSA-N- Molecular formula
- C31H34I6N4O8
- Average molar mass
- 1,352 g/mol
- Monoisotopic mass
- 1,351.6645
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(pimeloyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodo-
- IUPAC
- 3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-7-oxoheptanoyl]amino]-2,4,6-triiodobenzoic acid
Names & synonyms
BENZOIC ACID, 3,3'-(PIMELOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-3,3'-Pimeloyldiiminobis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid)25903-29-1DTXSID10180569RefChem:326958DTXCID001030603,3'-[(1,7-Dioxoheptane-1,7-diyl)bis(azanediyl)]bis[5-(butanamidomethyl)-2,4,6-triiodobenzoic acid]
Database identifiers
- CAS
25903-29-1- PubChem CID
- 33220
- DTXSID
DTXSID10180569- Nikkaji
- J83.494G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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