Products for Research Use Only
RegisterLogin

Glucoiberin

CAT: 0926-AAA55488-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-AAA55488-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
554-88-1
Smiles
CS (=O) CCCC (=NOS (=O) (=O) O) SC1C (C (C (C (O1) CO) O) O) O
Molecular Formula
C11H21NO10S3
Molecular Weight
423.5 g/mol
Controlled
No

Chemical Information

Glucoiberin

Glucoiberin has been reported in Brassica oleracea, Brassica incana, and other organisms with data available.

CAS Number554-88-1
PubChem CID656543
IUPAC Name[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-methylsulfinyl-N-sulfooxybutanimidothioate
Molecular FormulaC11H21NO10S3
Molecular Weight423.5
XLogP-2.4
Topological Polar Surface Area236
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity577
SMILES
CS(=O)CCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C11H21NO10S3/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)/t6-,8-,9+,10-,11+,24?/m1/s1
InChIKey
PHYYADMVYQURSX-GEINXPCQSA-N
Chemical Structure
2D Structure
2D structure of Glucoiberin
CAS: 554-88-1
CID: 656543
Formula: C11H21NO10S3
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP3-2.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass423.03275939
Monoisotopic Mass423.03275939
Topological Polar Surface Area236 Ų
Heavy Atom Count25
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19208071Glucoiberin
TN8237-01Glucoiberin potassium
HY-131371Glucoiberin (potassium)
20378Glucoiberin Potassium Salt Reference Standard, 85%

Popular Products