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Cyclophellitol aziridine

CAT: 0931-T79910-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T79910-02Size:50 mg
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CAS Number
136861-97-7
Target
Glucosidase, glycosidase
Related Pathways
Metabolism
Bioactivity
Cyclophellitol aziridine, an analogue of cyclophenol, serves as a potent inhibitor of β-glucosidase [1].
Smiles
C(O)[C@H]1[C@@]2([C@@](N2)([C@H](O)[C@@H](O)[C@@H]1O)[H])[H]
Molecular Formula
C7H13NO4
Molecular Weight
175.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyclophellitol aziridine
CAS Number136861-97-7
PubChem CID89599365
IUPAC Name(1R,2S,3S,4R,5R,6R)-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol
Molecular FormulaC7H13NO4
Molecular Weight175.18
XLogP-2.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity188
SMILES
C([C@H]1[C@@H]2[C@@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O
InChI
InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3+,4+,5+,6-,7-/m0/s1
InChIKey
GPIFFOGPRPKRHS-DRYVTRLFSA-N
Chemical Structure
2D Structure
2D structure of Cyclophellitol aziridine
CAS: 136861-97-7
CID: 89599365
Formula: C7H13NO4
MW: 175.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.18
XLogP3-2.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass175.08445790
Monoisotopic Mass175.08445790
Topological Polar Surface Area103 Ų
Heavy Atom Count12
Formal Charge0
Complexity188
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

Related Products

CatalogName
TN10067-01Cyclophellitol

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CatalogName
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AR-C02341-01N-Benzyl Aziridine
CS-O-58601N-Nitroso Roxadustat Aziridine
CDA18495-01(R) -2-Benzyl-aziridine
457446-01N- (tert-Butoxycarbonyl) aziridine
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