Glycyrrhetyl 30-monoglucuronide

Base Information

• Chemical Name: Glycyrrhetyl 30-monoglucuronide
• CAS No.: 111510-20-4
• Molecular Formula: C36H54 O10
• Molecular Weight: 646.81
• DSSTox Substance ID: DTXSID00912194
• Mol file: 111510-20-4.mol

Synonyms:1-(18 beta-glycyrrhet-30-yl)glucopyranuronic acid;glycyrrhetyl 30-monoglucuronide

Chemical Property of Glycyrrhetyl 30-monoglucuronide

Chemical Property:

• Vapor Pressure: 1.76E-26mmHg at 25°C
• Boiling Point: 757.4°Cat760mmHg
• PKA: 2.68±0.70(Predicted)
• Flash Point: 230.8°C
• PSA: 170.82000
• Density: 1.31g/cm³
• LogP: 3.76340
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 646.37169792
• Heavy Atom Count: 46
• Complexity: 1340

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C)C
• Isomeric SMILES: C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O