Ursometh

Base Information

• Chemical Name: Ursometh
• CAS No.: 122018-96-6
• Molecular Formula: C34H60O5
• Molecular Weight: 548.8372
• DSSTox Substance ID: DTXSID60924056
• Mol file: 122018-96-6.mol

Synonyms:UDCA-menthol;Ursometh

Chemical Property of Ursometh

Chemical Property:

• Vapor Pressure: 2.98E-14mmHg at 25°C
• Boiling Point: 547.1°Cat760mmHg
• Flash Point: 298.8°C
• PSA: 97.99000
• Density: g/cm³
• LogP: 6.91740
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 548.44407501
• Heavy Atom Count: 39
• Complexity: 726

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(C1)O)C(C)C.CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
• Isomeric SMILES: CC1CCC(C(C1)O)C(C)C.C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C