Benzoic acid, 3,3'-(sebacoyldiimino)bis(5-(propionamidomethyl)-2,4,6-triiodo-
Basic information
- CAS
25901-42-2- Standard SMILES
CCC(=O)NCc1c(I)c(NC(=O)CCCCCCCCC(=O)Nc2c(I)c(CNC(=O)CC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
RTGZXDFMZAIPEP-UHFFFAOYSA-N- Molecular formula
- C32H36I6N4O8
- Average molar mass
- 1,366.1 g/mol
- Monoisotopic mass
- 1,365.6801
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(sebacoyldiimino)bis(5-(propionamidomethyl)-2,4,6-triiodo-
- IUPAC
- 3-[[10-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
Names & synonyms
BRN 2800795BENZOIC ACID, 3,3'-(SEBACOYLDIIMINO)BIS(5-(PROPIONAMIDOMETHYL)-2,4,6-TRIIODO-25901-42-2DTXSID301805613,3'-(Sebacoyldiimino)bis(5-(propionamidomethyl)-2,4,6-triiodobenc acid)RefChem:326963DTXCID701030523,3'-[(1,10-Dioxodecane-1,10-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(propanamidomethyl)benzoic acid]
Database identifiers
- CAS
25901-42-2- PubChem CID
- 33214
- DTXSID
DTXSID30180561- Nikkaji
- J83.516A
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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