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(threo) 1',2'-Dihydroxyasarone

CAT: 0931-TN11526-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11526-01Size:10 mg
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CAS Number
321365-67-7
Target
Drug Metabolite
Related Pathways
Metabolism
Bioactivity
(threo) 1',2'-Dihydroxyasarone is an antioxidant identified in the roots of Acorus tatarinowii. It holds potential for research into neurological disorders, such as dementia.
Smiles
[C@H]([C@H](C)O)(O)C1=C(OC)C=C(OC)C(OC)=C1
Molecular Formula
C12H18O5
Molecular Weight
242.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(threo) 1',2'-Dihydroxyasarone
CAS Number321365-67-7
PubChem CID11207235
IUPAC Name(1S,2S)-1-(2,4,5-trimethoxyphenyl)propane-1,2-diol
Molecular FormulaC12H18O5
Molecular Weight242.27
XLogP0.7
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity223
SMILES
C[C@@H]([C@H](C1=CC(=C(C=C1OC)OC)OC)O)O
InChI
InChI=1S/C12H18O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-7,12-14H,1-4H3/t7-,12+/m0/s1
InChIKey
ZSTCCLUBWBHJMP-JVXZTZIISA-N
Chemical Structure
2D Structure
2D structure of (threo) 1',2'-Dihydroxyasarone
CAS: 321365-67-7
CID: 11207235
Formula: C12H18O5
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass242.11542367
Monoisotopic Mass242.11542367
Topological Polar Surface Area68.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity223
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes