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Daidzein4’-β-D-Glucuronide

Daidzein4’-β-D-Glucuronide structure

CAS No:
264236-77-3
Formula:
C21H18O10
Chemical Name:
Daidzein4’-β-D-Glucuronide
Synonyms:
4-(7-Hydroxy-4-oxo-4H-1-benzopyran-3-yl)phenyl β-D-Glucopyranosiduronic Acid;Daidzein 4’-β-D-Glucuronide;β-D-Glucopyranosiduronic acid, 4-(7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)phenyl;Daidzein 4’-β-D-Glucuronide

Description

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

Daidzein4’-β-D-Glucuronide Basic Attributes

Molecular Weight：

430.36

Exact Mass：

430.08999677

DSSTox ID：

DTXSID50635942

Characteristics

PSA：

166.89000

XLogP3：

0.43660

Density：

1.665±0.06 g/cm3

Melting Point：

155-159°C (dec.)

Boiling Point：

779.8±60.0 °C(Predicted)

PKA：

2.78±0.70

Daidzein4’-β-D-Glucuronide Use and Manufacturing

Daidzein (D103500) metabolite.

Computed Properties

Molecular Weight:430.4
XLogP3:0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:430.08999677
Monoisotopic Mass:430.08999677
Topological Polar Surface Area:163
Heavy Atom Count:31
Complexity:715
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Daidzein4’-β-D-Glucuronide

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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