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Cyclophellitol

CAT: 0013-GTR19256275-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256275-01Size:50 mg
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Description
Cyclophellitol is an inhibitor of β-glycosidase, with an IC50 of 0.8 μg/mL.
CAS Number
126661-83-4
Field of Research
Metabolism Research
Smiles
C (O) [C@H]1[C@@]2 ([C@@] (O2) ([C@H] (O) [C@@H] (O) [C@@H]1O) [H]) [H]
Molecular Formula
C7H12O5
Molecular Weight
176.167
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Cyclophellitol

Cyclophellitol is an oxacycle.

CAS Number126661-83-4
PubChem CID164227
IUPAC Name(1S,2R,3S,4R,5R,6R)-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Molecular FormulaC7H12O5
Molecular Weight176.17
XLogP-2
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)O
InChI
InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1
InChIKey
YQLWKYQDOQEWRD-GEGSFZHJSA-N
Chemical Structure
2D Structure
2D structure of (+)-Cyclophellitol
CAS: 126661-83-4
CID: 164227
Formula: C7H12O5
MW: 176.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.17
XLogP3-2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass176.06847348
Monoisotopic Mass176.06847348
Topological Polar Surface Area93.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
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

Alternative Products

CatalogName
TN10067-01Cyclophellitol
T79910-01Cyclophellitol aziridine

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