CID 122852

Base Information

• Chemical Name: CID 122852
• CAS No.: 71247-78-4
• Molecular Formula: C30H48 O4
• Molecular Weight: 472.7
• DSSTox Substance ID: DTXSID10991556
• Wikidata: Q105385462
• Mol file: 71247-78-4.mol

Synonyms:salaspermic acid

Chemical Property of CID 122852

Chemical Property:

• Vapor Pressure: 1.86E-15mmHg at 25°C
• Melting Point: 335℃
• Boiling Point: 571.8°C at 760 mmHg
• PKA: 4.79±0.70(Predicted)
• Flash Point: 178.9°C
• PSA: 66.76000
• Density: 1.15g/cm³
• LogP: 6.65150
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 472.35526001
• Heavy Atom Count: 34
• Complexity: 918

Purity/Quality:

99% ^*data from raw suppliers

Salaspermicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C23CCC4C(C2CCC1(OC3)O)(CCC5(C4(CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C
• Isomeric SMILES: C[C@@H]1C23CCC4[C@](C2CCC1(OC3)O)(CC[C@@]5([C@@]4(CC[C@@]6(C5C[C@](CC6)(C)C(=O)O)C)C)C)C