Benzoic acid, 3,3'-(sebacoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodo-

HCID 33223

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Basic information

CAS: 25903-32-6
Standard SMILES: CCCC(=O)NCc1c(I)c(NC(=O)CCCCCCCCC(=O)Nc2c(I)c(CNC(=O)CCC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I
InChIKey: VQNIZCPAKWCPSU-UHFFFAOYSA-N
Molecular formula: C34H40I6N4O8
Average molar mass: 1,394.1 g/mol
Monoisotopic mass: 1,393.7114

Names & identifiers

Preferred name: Benzoic acid, 3,3'-(sebacoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodo-
IUPAC: 3-[(butanoylamino)methyl]-5-[[10-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodoanilino]-10-oxodecanoyl]amino]-2,4,6-triiodobenzoic acid

Names & synonyms

BENZOIC ACID, 3,3'-(SEBACOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-3,3'-(Sebacoyldiimino)bis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid)25903-32-6DTXSID40180572RefChem:326962DTXCID801030633,3'-[(1,10-Dioxodecane-1,10-diyl)bis(azanediyl)]bis[5-(butanamidomethyl)-2,4,6-triiodobenzoic acid]

Database identifiers

CAS: 25903-32-6
PubChem CID: 33223
DTXSID: DTXSID40180572
Nikkaji: J83.514E

Properties

Computed structural properties

XLogP: 7.6
Topological polar surface area: 191 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 21
Heavy atoms: 52
Formal charge: 0
Complexity: 1,130

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