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Daidzein 4′-β-D-glucuronide

CAT: 0024-sc-471301Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-471301Size:2.5 mg
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CAS Number
264236-77-3

Chemical Information

Daidzein 4'-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxo-1-benzopyran-3-yl)phenoxy]-2-oxanecarboxylic acid is a glycoside and an isoflavonoid.

CAS Number264236-77-3
PubChem CID23930394
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(7-hydroxy-4-oxochromen-3-yl)phenoxy]oxane-2-carboxylic acid
Molecular FormulaC21H18O10
Molecular Weight430.4
XLogP0.9
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity715
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C21H18O10/c22-10-3-6-12-14(7-10)29-8-13(15(12)23)9-1-4-11(5-2-9)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
InChIKey
ATUYSKUVHUPXBV-ZFORQUDYSA-N
Chemical Structure
2D Structure
2D structure of Daidzein 4'-O-glucuronide
CAS: 264236-77-3
CID: 23930394
Formula: C21H18O10
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP30.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass430.08999677
Monoisotopic Mass430.08999677
Topological Polar Surface Area163 Ų
Heavy Atom Count31
Formal Charge0
Complexity715
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

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Alternative Products

CatalogName
HY-137963Daidzein 4'-β-D-glucuronide
PKA23677-01Daidzein 4’-β-D-glucuronide
TRC-D103490-25MGDaidzein 4’-beta-D-Glucuronide
AR-D06275-01Daidzein 4'-beta-D-Glucuronide
163593Daidzein-7-sulfate-4’-β-D-glucuronide
D1025-01Daidzein 7-b-D-Glucuronide
007481Daidzein 7-β-D-Glucuronide 4’-Sulfate Disodium Salt
MD07335-01Daidzein 7-β-D-glucuronide potassium salt
007480Daidzein 7-β-D-Glucuronide Methyl Ester
293201-01Daidzein 7-b-D-glucuronide 4'-sulfate disodium salt

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