Hyodeoxycholate-6-O-glucuronide

Base Information

• Chemical Name: Hyodeoxycholate-6-O-glucuronide
• CAS No.: 76060-17-8
• Molecular Formula: C30H48 O10
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID30997393
• Nikkaji Number: J960.895H
• Wikidata: Q76084732
• ChEMBL ID: CHEMBL2074885
• Mol file: 76060-17-8.mol

Synonyms:HDC-6-OG;hyodeoxycholate-6-O-glucuronide

Chemical Property of Hyodeoxycholate-6-O-glucuronide

Chemical Property:

• Vapor Pressure: 1.1E-26mmHg at 25°C
• Boiling Point: 760.3°C at 760 mmHg
• Flash Point: 242.9°C
• Density: 1.34g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 568.32474772
• Heavy Atom Count: 40
• Complexity: 959

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O)C
• Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C