EPSILON-AMANITIN
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EPSILON-AMANITIN
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CAS No:
21705-02-2
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Formula:
C39H53N9O14S
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Chemical Name:
EPSILON-AMANITIN
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Synonyms:
alpha-Amanitin, 1-L-aspartic acid-3-((S)-4-hydroxy-L-isoleucine)-;alpha-Amanitin, 1-L-aspartic acid-3-(4-hydroxy-L-isoleucine)-, (S)-;9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1",2":8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-2,14-dihydroxy-21-(2-hydroxy-1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide;Cyclo(L-alpha-aspartyl-4-hydroxy-L-prolyl-(S)-4-hydroxy-L-isoleucyl-6-hydroxy-2-mercapto-L-tryptophylglycyl-L-isoleucylglycyl-L-cysteinyl), cyclic (4-8)-sulfide, (R)-8-oxide
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CAS No:
Characteristics
374.07000
1.1627 (rough estimate)
Peritoneal-mouse LD50: 0.3 mg/kg; unknown-mouse LD50: 0.5 mg/kg
Flammable; burning produces toxic nitrogen oxides and sulfur oxide fumes
Computed Properties
Molecular Weight:904.0
XLogP3:-2.7
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:6
Exact Mass:903.34326857
Monoisotopic Mass:903.34326857
Topological Polar Surface Area:374
Heavy Atom Count:63
Complexity:1820
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes