Phallisacin

Base Information

• Chemical Name: Phallisacin
• CAS No.: 58286-46-7
• Molecular Formula: C37H50 N8 O14 S
• Molecular Weight: 862.9
• DSSTox Substance ID: DTXSID701046343
• Wikidata: Q105103265
• Mol file: 58286-46-7.mol

Synonyms:Phallisacin;58286-46-7;Phallacidin, 3-(4,5-dihydroxy-4-(hydroxymethyl)-L-norvaline)-;C37H50N8O14S;DTXSID701046343;C37-H50-N8-O14-S

Chemical Property of Phallisacin

Chemical Property:

• Boiling Point: 1512.1°Cat760mmHg
• PKA: 3.13±0.11(Predicted)
• Flash Point: 868.3°C
• PSA: 395.39000
• Density: 1.58g/cm³
• LogP: -3.47920
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 862.31671947
• Heavy Atom Count: 60
• Complexity: 1670

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(CO)(CO)O)C(C)C)C(C(=O)O)O