Benzoic acid, 3,3'-(adipoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodo-
Basic information
- CAS
25903-33-7- Standard SMILES
CCCC(=O)NCc1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(CNC(=O)CCC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I- InChIKey
CYFXTLHLGOBPLJ-UHFFFAOYSA-N- Molecular formula
- C30H32I6N4O8
- Average molar mass
- 1,338 g/mol
- Monoisotopic mass
- 1,337.6488
Names & identifiers
- Preferred name
- Benzoic acid, 3,3'-(adipoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodo-
- IUPAC
- 3-[(butanoylamino)methyl]-5-[[6-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid
Names & synonyms
BRN 2800748BENZOIC ACID, 3,3'-(ADIPOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-25903-33-7DTXSID001805733,3'-(Adipoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid)RefChem:326940DTXCID401030643,3'-[(1,6-Dioxohexane-1,6-diyl)bis(azanediyl)]bis[5-(butanamidomethyl)-2,4,6-triiodobenzoic acid]
Database identifiers
- CAS
25903-33-7- PubChem CID
- 33224
- DTXSID
DTXSID00180573- Nikkaji
- J73.796H
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,070
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Compound notes
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