2-[(1R,4S,10S,13S,16S,34S)-34-butan-2-yl-8,22-dihydroxy-13-[(2R,3R)-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]acetamide

Base Information

• Chemical Name: 2-[(1R,4S,10S,13S,16S,34S)-34-butan-2-yl-8,22-dihydroxy-13-[(2R,3R)-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]acetamide
• CAS No.: 13567-11-8
• Molecular Formula: C39H54 N10 O12 S
• Molecular Weight: 887.09
• Mol file: 13567-11-8.mol

Synonyms:GAMMA-AMANITIN

Chemical Property of 2-[(1R,4S,10S,13S,16S,34S)-34-butan-2-yl-8,22-dihydroxy-13-[(2R,3R)-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]acetamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.7400 (estimate)
• Boiling Point: 1505.8°Cat760mmHg
• PKA: 9.90±0.70(Predicted)
• Flash Point: 864.5°C
• PSA: 379.86000
• Density: 1.49g/cm³
• LogP: -1.08710
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 902.35925299
• Heavy Atom Count: 63
• Complexity: 1820

Purity/Quality:

98%Min ^*data from raw 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)N)O)C(C)C(C)O)C5=C(N3)C=C(C=C5)O
• Isomeric SMILES: CCC(C)[C@H]1C(=O)NCC(=O)N[C@H]2CS(=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4CC(CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@@H](C)O)C5=C(N3)C=C(C=C5)O