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Glucoiberin (potassium)

CAT: 0804-HY-131371Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-131371Size:1 Each
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Description
Glucoiberin potassium is the active compound.
CAS Number
15592-34-4
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/glucoiberin-potassium.html
Smiles
O=S(O/N=C(CCCS(C)=O)\S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(O[K])=O
Molecular Formula
C11H20KNO10S3
Molecular Weight
461.57
References & Citations
[1]The impact of subcellular location on the near infrared-mediated thermal ablation of cells by targeted carbon nanotubes|[2]Enhanced blood-brain barrier transmigration using a novel transferrin embedded fluorescent magneto-liposome nanoformulation|[3]Myomaker and myomerger work independently to control distinct steps of membrane remodeling during myoblast fusion|[4]Effect of the lipid chain melting transition on the stability of DSPE-PEG (2000) micelles|[5]Functionalization and peptide-based delivery of magnetic nanoparticles as an intracellular MRI contrast agent|[6]Thermodynamic and kinetic stability of DSPE-PEG (2000) micelles in the presence of bovine serum albumin
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

beta-d-glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-n-(sulfooxy)butanimidate), monopotassium salt
CAS Number15592-34-4
PubChem CID23704359
IUPAC Namepotassium [(E)-[4-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate
Molecular FormulaC11H20KNO10S3
Molecular Weight461.6
Topological Polar Surface Area239
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity583
SMILES
CS(=O)CCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.[K+]
InChI
InChI=1S/C11H21NO10S3.K/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11;/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20);/q;+1/p-1/b12-7+;/t6-,8-,9+,10-,11+,24?;/m1./s1
InChIKey
PJZYNAFZGIIKQD-LUFJGRCYSA-M
Chemical Structure
2D Structure
2D structure of beta-d-glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-n-(sulfooxy)butanimidate), monopotassium salt
CAS: 15592-34-4
CID: 23704359
Formula: C11H20KNO10S3
MW: 461.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass460.98864084
Monoisotopic Mass460.98864084
Topological Polar Surface Area239 Ų
Heavy Atom Count26
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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