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Conduritol B epoxide (Standard)

CAT: 0804-HY-100944RSize: 1 EachDry Ice: NoHazardous: No
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Description
Conduritol B epoxide (Standard) is the analytical standard of Conduritol B epoxide. This product is intended for research and analytical applications. Conduritol B epoxide is an irreversible covalently bound acid β-glucosidase (GCase) inhibitor.
CAS Number
6090-95-5
Target
Glycosidase; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Neurological Disease
Smiles
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H]2[C@@H]1O2
Molecular Formula
C6H10O5
Molecular Weight
162.14
References & Citations
[1]Liou B, et al. Modulating ryanodine receptors with dantrolene attenuates neuronopathic phenotype in Gaucher disease mice. Hum Mol Genet. 2016 Sep 20. pii: ddw322. [Epub ahead of print]|[2]YH Xu, et al. Accumulation and distribution of α-synuclein and ubiquitin in the CNS of Gaucher disease mouse models. Mol Genet Metab. Author manuscript; available in PMC 2012 Apr 1
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Conduritol B Epoxide

1-D-1,2-anhydro-myo-inositol is a conduritol epoxide resulting from the formal epoxidation of the double bond of (+)-conduritol B. It has a role as an EC 3.2.1.48 (sucrose alpha-glucosidase) inhibitor and an EC 3.2.1.10 (oligo-1,6-glucosidase) inhibitor. It is functionally related to a (+)-conduritol B. It is an enantiomer of a 1-L-1,2-anhydro-myo-inositol.

CAS Number6090-95-5
PubChem CID119054
IUPAC Name(1S,2R,3S,4S,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
Molecular FormulaC6H10O5
Molecular Weight162.14
XLogP-2.7
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
[C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)O2)O)O)O
InChI
InChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1
InChIKey
ZHMWOVGZCINIHW-FTYOSCRSSA-N
Chemical Structure
2D Structure
2D structure of Conduritol B Epoxide
CAS: 6090-95-5
CID: 119054
Formula: C6H10O5
MW: 162.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight162.14
XLogP3-2.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass162.05282342
Monoisotopic Mass162.05282342
Topological Polar Surface Area93.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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