Scillicyanoside

Base Information

• Chemical Name: Scillicyanoside
• CAS No.: 11005-49-5
• Molecular Formula: C32H42 O12
• Molecular Weight: 618.67
• DSSTox Substance ID: DTXSID90911474
• Wikidata: Q82881612
• Mol file: 11005-49-5.mol

Synonyms:scillicyanoside;scillicyanoside pentahydrate

Chemical Property of Scillicyanoside

Chemical Property:

• Vapor Pressure: 1.62E-29mmHg at 25°C
• Boiling Point: 798.9°C at 760 mmHg
• Flash Point: 254.6°C
• PSA: 193.19000
• Density: 1.45g/cm³
• LogP: 0.70680
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 618.26762677
• Heavy Atom Count: 44
• Complexity: 1280

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC2(C3CCC4(C=CCCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C=O)OC6C(C(C(C(O6)CO)O)O)O)O
• Isomeric SMILES: CC(=O)O[C@H]1C[C@@]2(C3CC[C@@]4(C=CCC[C@@]4(C3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C=O)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O)O