(-) -Taxifolin

CAT: 0926-LEA00333-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-LEA00333-02Size:1 mg

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CAS Number

111003-33-9

Synonyms

(-) -Dihydroquercetin

Smiles

C1=CC (=CC (=C1) N) C2=NOC=N2

Molecular Formula

C15H12O7

Molecular Weight

304.25 g/mol

Controlled

Chemical Information

Taxifolin, (-)-

(-)-taxifolin is the (2S,3S)-stereoisomer of taxifolin. It is an enantiomer of a (+)-taxifolin.

CAS Number	111003-33-9
PubChem CID	712316
IUPAC Name	(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one
Molecular Formula	C15H12O7
Molecular Weight	304.25
XLogP	1.5
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	428

SMILES

C1=CC(=C(C=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O

InChI

InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1

InChIKey

CXQWRCVTCMQVQX-CABCVRRESA-N

Chemical Structure

2D Structure

CAS: 111003-33-9

CID: 712316

Formula: C15H12O7

MW: 304.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.25
XLogP3	1.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	304.05830272
Monoisotopic Mass	304.05830272
Topological Polar Surface Area	127 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes