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(2S) -5,7,3',4'-Tetramethoxyflavanone

CAT: 0013-GTR19229361-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229361-01Size:1 mg
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Description
(2S) -5,7,3',4'-Tetramethoxyflavanone is a chiral flavanone derivative utilized as a biochemical tool in life science research. It is applied in in vitro studies investigating biological activities such as antioxidant and enzyme inhibition, relevant to pharmacological and phytochemical research fields.
CAS Number
74628-43-6
Purity
99.55% (May vary between batches)
Smiles
O (C) C1=C2C (O[C@@H] (CC2=O) C3=CC (OC) =C (OC) C=C3) =CC (OC) =C1
Molecular Formula
C19H20O6
Molecular Weight
344.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2s)-5,7,3',4'-Tetramethoxyflavanone
CAS Number74628-43-6
PubChem CID91212489
IUPAC Name(2S)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
Molecular FormulaC19H20O6
Molecular Weight344.4
XLogP2.8
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity455
SMILES
COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC
InChI
InChI=1S/C19H20O6/c1-21-12-8-17(24-4)19-13(20)10-15(25-18(19)9-12)11-5-6-14(22-2)16(7-11)23-3/h5-9,15H,10H2,1-4H3/t15-/m0/s1
InChIKey
FPXNMRFTZWGJIT-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of (2s)-5,7,3',4'-Tetramethoxyflavanone
CAS: 74628-43-6
CID: 91212489
Formula: C19H20O6
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass344.12598835
Monoisotopic Mass344.12598835
Topological Polar Surface Area63.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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