Compound C21H30I3N3O9

1-N,1-N,3-N,3-N,5-N,5-N-hexakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3,5-tricarboxamide

CAS: 79211-10-2

Molecular Formula	`C21H30I3N3O9`
Molecular Weight	849.2 g/mol
LogP	-1.9
Topological Polar Surface Area	182.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	15
Exact Mass	848.9116
Heavy Atoms	36
Complexity	582.0

Chemical Identifiers

CAS Number	79211-10-2
SMILES	`C(CO)N(CCO)C(=O)C1=C(C(=C(C(=C1I)C(=O)N(CCO)CCO)I)C(=O)N(CCO)CCO)I`
InChIKey	`KZYHGCLDUQBASN-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H30I3N3O9 (CAS: 79211-10-2) is a chemical compound with molecular formula C21H30I3N3O9 and molecular weight 849.2 g/mol. Its IUPAC systematic name is 1-N,1-N,3-N,3-N,5-N,5-N-hexakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3,5-tricarboxamide. LogP -1.9 Topological Polar Surface Area 182.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 9 Rotatable Bonds 15 Exact Mass 848.9116 Heavy Atoms 36 Complexity 582.0 InChI Key: KZYHGCLDUQBASN-UHFFFAOYSA-N. SMILES: C(CO)N(CCO)C(=O)C1=C(C(=C(C(=C1I)C(=O)N(CCO)CCO)I)C(=O)N(CCO)CCO)I.

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