Benzoic acid, 3,3'-(suberoyldiimino)bis(5-(acetamidomethyl)-2,4,6-triiodo-

HCID 33207

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Basic information

CAS: 25901-34-2
Standard SMILES: CC(=O)NCc1c(I)c(NC(=O)CCCCCCC(=O)Nc2c(I)c(CNC(C)=O)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I
InChIKey: JHDUWYUIMCFVJL-UHFFFAOYSA-N
Molecular formula: C28H28I6N4O8
Average molar mass: 1,310 g/mol
Monoisotopic mass: 1,309.6175

Names & identifiers

Preferred name: Benzoic acid, 3,3'-(suberoyldiimino)bis(5-(acetamidomethyl)-2,4,6-triiodo-
IUPAC: 3-(acetamidomethyl)-5-[[8-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodoanilino]-8-oxooctanoyl]amino]-2,4,6-triiodobenzoic acid

Names & synonyms

BRN 2800657BENZOIC ACID, 3,3'-(SUBEROYLDIIMINO)BIS(5-(ACETAMIDOMETHYL)-2,4,6-TRIIODO-25901-34-2DTXSID601805543,3'-(Suberoyldiimino)bis(5-(acetamidomethyl)-2,4,6-triiodobenzoic acid)RefChem:326965DTXCID001030453,3'-[(1,8-Dioxooctane-1,8-diyl)bis(azanediyl)]bis[5-(acetamidomethyl)-2,4,6-triiodobenzoic acid]

Database identifiers

CAS: 25901-34-2
PubChem CID: 33207
DTXSID: DTXSID60180554
Nikkaji: J83.517J

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 191 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 15
Heavy atoms: 46
Formal charge: 0
Complexity: 1,040

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