5-Acetoxyacetamido-N,N'-bis[(2,3-dihydroxypropyl)-2-hydroxyethyl]-2,4,6-triiodoisophthalamide

HCID 86745331
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Basic information

Standard SMILES
CC(=O)OCC(=O)Nc1c(I)c(C(=O)NCC(O)CC(O)CO)c(I)c(C(=O)NCC(O)CC(O)CO)c1I
InChIKey
MUUJXWLUNJHTMQ-UHFFFAOYSA-N
Molecular formula
C22H30I3N3O11
Average molar mass
893.2 g/mol
Monoisotopic mass
892.9015

Names & identifiers

Preferred name
5-Acetoxyacetamido-N,N'-bis[(2,3-dihydroxypropyl)-2-hydroxyethyl]-2,4,6-triiodoisophthalamide
IUPAC
[2-oxo-2-[2,4,6-triiodo-3,5-bis(2,4,5-trihydroxypentylcarbamoyl)anilino]ethyl] acetate

Names & synonyms

SCHEMBL9389982MUUJXWLUNJHTMQ-UHFFFAOYSA-N5-Acetoxyacetamido-N,N'-bis[(2,3-dihydroxypropyl)-2-hydroxyethyl]-2,4,6-triiodoisophthalamide

Database identifiers

PubChem CID
86745331

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
235 Ų
Hydrogen bond donors
9
Hydrogen bond acceptors
11
Rotatable bonds
16
Heavy atoms
39

Related reactions

4 records
New reaction record

Linked notes

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