Products for Research Use Only
RegisterLogin

Ioxilan

CAT: 0607-BA9636-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA9636-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
107793-72-6
Form
A solid
Molecular Formula
C18H24I3N3O8
Molecular Weight
791.11
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ioxilan

Ioxilan is an amidobenzoic acid.

CAS Number107793-72-6
PubChem CID3743
IUPAC Name5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Molecular FormulaC18H24I3N3O8
Molecular Weight791.1
XLogP-2.4
Topological Polar Surface Area180
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity647
SMILES
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I
InChI
InChI=1S/C18H24I3N3O8/c1-8(28)24(5-10(30)7-27)16-14(20)11(17(31)22-2-3-25)13(19)12(15(16)21)18(32)23-4-9(29)6-26/h9-10,25-27,29-30H,2-7H2,1H3,(H,22,31)(H,23,32)
InChIKey
UUMLTINZBQPNGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ioxilan
CAS: 107793-72-6
CID: 3743
Formula: C18H24I3N3O8
MW: 791.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight791.1
XLogP3-2.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass790.8698
Monoisotopic Mass790.8698
Topological Polar Surface Area180 Ų
Heavy Atom Count32
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T19377-01Ioxilan
HY-109513RIoxilan (Standard)
sc-489294Ioxilan-d4

Popular Products