Structure

Iodecol

CAS
81045-33-2
Catalog Number
ACM81045332
Category
Other Products
Molecular Weight
1566.16
Molecular Formula
C35H44I6N6O16

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Specification

Synonyms
Iodecimol, Iodecol, Iodecimol [INN-Latin], UNII-3SDG4RSP99, CID71247, 5,5-(Malonylbis((2-hydroxyethyl)imino))bis(N,N-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodoisophthalamide), 81045-33-2
IUPAC Name
5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2-hydroxyethyl)amino]-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Canonical SMILES
C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)C(=O)CC(=O)N(CCO)C2=C(C(=C(C(=C2I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I
InChI Key
RHISTIGVAKTTCM-UHFFFAOYSA-N
Boiling Point
1281.9ºC at 760 mmHg
Flash Point
729.1ºC
Density
2.328g/cm³
Exact Mass
1565.71000
H-Bond Acceptor
16
H-Bond Donor
14
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