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WIN-68056

CAT: 0013-GTR19192382Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192382Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WIN-68056 is a surfactant used to enhance the wettability and dispersion of contrast agents in X-ray imaging formulations. Its application supports both in vitro assay development and in vivo preclinical research in fields such as radiology and diagnostic imaging.
CAS Number
156948-91-3
Field of Research
Epigenetics & Chromatin
Smiles
O=C (OCCCCCC (=O) O) C=1C (I) =C (NC (=O) C) C (I) =C (NC (=O) C) C1I
Molecular Formula
C17H19I3N2O6
Molecular Weight
728.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(3,5-Diacetamido-2,4,6-triiodobenzoyl)oxyhexanoic acid
CAS Number156948-91-3
PubChem CID18965979
IUPAC Name6-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxyhexanoic acid
Molecular FormulaC17H19I3N2O6
Molecular Weight728.1
XLogP2.6
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity561
SMILES
CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCCCCCC(=O)O)I)NC(=O)C)I
InChI
InChI=1S/C17H19I3N2O6/c1-8(23)21-15-12(18)11(13(19)16(14(15)20)22-9(2)24)17(27)28-7-5-3-4-6-10(25)26/h3-7H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)
InChIKey
LJDIBKHDVCEULG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(3,5-Diacetamido-2,4,6-triiodobenzoyl)oxyhexanoic acid
CAS: 156948-91-3
CID: 18965979
Formula: C17H19I3N2O6
MW: 728.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight728.1
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass727.8377
Monoisotopic Mass727.8377
Topological Polar Surface Area122 Ų
Heavy Atom Count28
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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