alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-

Base Information

• Chemical Name: alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-
• CAS No.: 81558-12-5
• Molecular Formula: C39H53 N9 O14 S
• Molecular Weight: 903.955
• Mol file: 81558-12-5.mol

Synonyms: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-hydroxy-21-(2-hydroxy-1-methylethyl)-14-methoxy-5,8,20,23,24,27,30,33-octaoxo-, 11-oxide, (R)-;alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-;81558-12-5;C39-H53-N9-O14-S;LS-80955

Chemical Property of alpha-Amanitin, 1-L-aspartic acid-3-((R)-4-hydroxy-L-valine)-4-(2-mercapto-6-methoxy-L-tryptophan)-

Chemical Property:

• Boiling Point: 1522.1°Cat760mmHg
• Flash Point: 874.3°C
• Density: 1.53g/cm³
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 903.34326857
• Heavy Atom Count: 63
• Complexity: 1810

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

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)CO)C5=C(N3)C=C(C=C5)OC