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Thymolglucoside

CAT: 0013-GTR19228513-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228513-02Size:2 mg
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Description
Thymolglucoside (CAS 20772-23-0) is a research biochemical used in life science studies. It serves as a reference standard and experimental compound in pharmacological and biochemical research, including investigations into its properties and potential bioactivity in in vitro assay systems.
CAS Number
20772-23-0
Smiles
CC (C) c1ccc (C) cc1O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C16H24O6
Molecular Weight
312.362
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thymol beta-D-glucopyranoside

Beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl is a terpene glycoside.

CAS Number20772-23-0
PubChem CID88687
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(5-methyl-2-propan-2-ylphenoxy)oxane-3,4,5-triol
Molecular FormulaC16H24O6
Molecular Weight312.36
XLogP1.1
Topological Polar Surface Area99.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity350
SMILES
CC1=CC(=C(C=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H24O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4-6,8,12-20H,7H2,1-3H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey
GKQGIQVSMCHAFX-IBEHDNSVSA-N
Chemical Structure
2D Structure
2D structure of Thymol beta-D-glucopyranoside
CAS: 20772-23-0
CID: 88687
Formula: C16H24O6
MW: 312.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.36
XLogP31.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass312.15728848
Monoisotopic Mass312.15728848
Topological Polar Surface Area99.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T125386-01Thymolglucoside

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