Hyodeoxycholylglycine

Base Information

• Chemical Name: Hyodeoxycholylglycine
• CAS No.: 13042-33-6
• Molecular Formula: C26H43 N O5
• Molecular Weight: 449.62
• DSSTox Substance ID: DTXSID60875554
• Mol file: 13042-33-6.mol

Synonyms:Hyodeoxycholylglycine;2-[4-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid;SCHEMBL1654508;DTXSID60875554;CHEBI:181126;BCP29454

Chemical Property of Hyodeoxycholylglycine

Chemical Property:

• Vapor Pressure: 5.74E-20mmHg at 25°C
• Boiling Point: 655.6°Cat760mmHg
• PKA: 3.58±0.10(Predicted)
• Flash Point: 350.3°C
• PSA: 106.86000
• Density: 1.162g/cm³
• LogP: 3.98500
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 449.31412347
• Heavy Atom Count: 32
• Complexity: 727

Purity/Quality:

99% ^*data from raw suppliers

GlycohyodeoxycholicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
• Uses: Glycine conjugated Hyodeoxycholate, facilitates the biological transport of Hyodeoxycholate within the intestine