Sulfuric acid--strychnidin-10-one--water (1/2/5)

Base Information

• Chemical Name: Sulfuric acid--strychnidin-10-one--water (1/2/5)
• CAS No.: 60491-10-3
• Molecular Formula: C42H56N4O13S
• Molecular Weight: 522.57
• DSSTox Substance ID: DTXSID40975900
• Mol file: 60491-10-3.mol

Synonyms:60491-10-3;DTXSID40975900;LS-147122;D92230;Sulfuric acid--strychnidin-10-one--water (1/2/5)

Chemical Property of Sulfuric acid--strychnidin-10-one--water (1/2/5)

Chemical Property:

• Vapor Pressure: 1.44E-12mmHg at 25°C
• Melting Point: None °C (aq. ethanol)
• Boiling Point: 559.9°C at 760 mmHg
• Flash Point: 292.4°C
• PSA: 194.69000
• LogP: 4.29730
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 0
• Exact Mass: 856.35645903
• Heavy Atom Count: 60
• Complexity: 771

Purity/Quality:

99% ^*data from raw suppliers

StrychnineSulfateHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75.C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75.O.O.O.O.O.OS(=O)(=O)O
• Isomeric SMILES: C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=CC=CC=C75.C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2C61C7=CC=CC=C75.O.O.O.O.O.OS(=O)(=O)O