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Adonitoxin

Adonitoxin structure

Adonitoxin 

structure
  • CAS No:

    17651-61-5

  • Formula:

    C29H42O10

  • Chemical Name:

    Adonitoxin

  • Synonyms:

    Card-20(22)-enolide,3-[(6-deoxy-α-L-mannopyranosyl)oxy]-14,16-dihydroxy-19-oxo-,(3β,5β,16β)-;Adonitoxin;Mannopyranoside,adonitoxigenin-3 6-deoxy-,α-L-;(3β,5β,16β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14,16-dihydroxy-19-oxocard-20(22)-enolide;546-01-0;11002-12-3;53682-08-9

  • Categories:

    Biochemical Engineering  >  Saccharides

Description

Adonitoxin is an alpha-L-rhamnoside. It derives from an adonitoxigenin.

Adonitoxin Basic Attributes

550.641

550.64

241-632-9

HQ20654884

Characteristics

163

0.60590

1.41g/cm3

245-258 °C

764.6ºC at 760 mmHg

249.7ºC

1.62

Drug Information

adonitoxin

Adonitoxin Use and Manufacturing

Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cardanolides and derivatives [ST0112]

Computed Properties

Molecular Weight:550.6
XLogP3:-0.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:550.27779753
Monoisotopic Mass:550.27779753
Topological Polar Surface Area:163
Heavy Atom Count:39
Complexity:1030
Defined Atom Stereocenter Count:14
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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