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Mirificin

pharmaceutical raw materials
Mirificin structure

Mirificin 

structure
  • CAS No:

    103654-50-8

  • Formula:

    C26H28O13

  • Chemical Name:

    Mirificin

  • Synonyms:

    Mirificin;8-(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Puerarin apioside;8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;Puerarin apioside,Mirificin;BCP10902;4H-1-Benzopyran-4-one,8-(6-O-D-apio-b-D-furanosyl-b-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-;4H-1-Benzopyran-4-one, 8-(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Mirificin is a flavone C-glycoside that is 7,4'-dihydroxyflavone substituted by a 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as a plant metabolite. It is a dihydroxyflavone and a flavone C-glycoside.

Mirificin Basic Attributes

548.49

548.15299094

Characteristics

219.74000

-1.14900

1.73±0.1 g/cm3

151-152℃

848.0±65.0 °C(Predicted)

285.82ºC

1.749

0mmHg at 25°C

6.45±0.20

Mirificin Use and Manufacturing

Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]

Computed Properties

Molecular Weight:548.5
XLogP3:-1.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:548.15299094
Monoisotopic Mass:548.15299094
Topological Polar Surface Area:216
Heavy Atom Count:39
Complexity:906
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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