Benzoic acid, 3,3'-(azelaoyldiimino)bis(5-(propionamidomethyl)-2,4,6-triiodo-
Basic information
- CAS
25901-43-3- Standard SMILES
CCC(=O)NCc1c(I)c(NC(=O)CCCCCCCC(=O)Nc2c(I)c(CNC(=O)CC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
JZOWTSHGRHRPEG-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'-(azelaoyldiimino)bis(5-(propionamidomethyl)-2,4,6-triiodo-
- IUPAC
- 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-9-oxononanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid
Names & synonyms
BRN 2800769BENZOIC ACID, 3,3'-(AZELAOYLDIIMINO)BIS(5-(PROPIONAMIDOMETHYL)-2,4,6-TRIIODO-25901-43-3DTXSID901805623,3'-(Azelaoyldiimino)bis(5-(propionamidomethyl)-2,4,6-triiodobenzoic acid)RefChem:326944DTXCID301030533,3'-[(1,9-Dioxononane-1,9-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(propanamidomethyl)benzoic acid]
Database identifiers
- CAS
25901-43-3- PubChem CID
- 33215
- DTXSID
DTXSID90180562- Nikkaji
- J73.857C
Properties
Computed structural properties
- XLogP
- 6.3
- 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
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Compound notes
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