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

HCID 33216

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Basic information

CAS: 25901-44-4
Standard SMILES: CCC(=O)NCc1c(I)c(NC(=O)CCCCCCC(=O)Nc2c(I)c(CNC(=O)CC)c(I)c(C(=O)O)c2I)c(I)c(C(=O)O)c1I
InChIKey: VUWCRVURMGNSNI-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'-(suberoyldiimino)bis(5-(propionamidomethyl)-2,4,6-triiodo-
IUPAC: 3-[[8-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-8-oxooctanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid

Names & synonyms

BRN 2800747BENZOIC ACID, 3,3'-(SUBEROYLDIIMINO)BIS(5-(PROPIONAMIDOMETHYL)-2,4,6-TRIIODO-25901-44-4DTXSID501805633,3'-(Suberoylimino)bis(5-(propionamidomethyl)-2,4,6-triiodoben zoic acid)RefChem:326967DTXCID901030543,3'-[(1,8-Dioxooctane-1,8-diyl)bis(azanediyl)]bis[2,4,6-triiodo-5-(propanamidomethyl)benzoic acid]

Database identifiers

CAS: 25901-44-4
PubChem CID: 33216
DTXSID: DTXSID50180563
Nikkaji: J83.520J

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 191 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 17
Heavy atoms: 48
Formal charge: 0
Complexity: 1,070

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