epsilon-Amanitin

Base Information

• Chemical Name: epsilon-Amanitin
• CAS No.: 21705-02-2
• Molecular Formula: C39H53 N9 O14 S
• Molecular Weight: 904.07
• DSSTox Substance ID: DTXSID201028142
• Wikipedia: %CE%95-Amanitin
• Mol file: 21705-02-2.mol

Synonyms:epsilon-Amanitin;21705-02-2;2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid;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;DTXSID201028142;AKOS040757381;LS-80951;LS-80952

Chemical Property of epsilon-Amanitin

Chemical Property:

• Appearance/Colour: Colorless, crystalline solid
• Refractive Index: 1.7400 (estimate)
• Boiling Point: 1544.2°Cat760mmHg
• Flash Point: 887.7°C
• PSA: 374.07000
• Density: 1.55g/cm³
• LogP: -1.18810
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 903.34326857
• Heavy Atom Count: 63
• Complexity: 1820

Purity/Quality:

99% ^*data from raw suppliers

ε-Amanitin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O