Chenodeoxycholic Acid-d4

Base Information

• Chemical Name: Chenodeoxycholic Acid-d4
• CAS No.: 99102-69-9
• Molecular Formula: C24H36 D4 O4
• Molecular Weight: 396.6
• DSSTox Substance ID: DTXSID80584459
• Wikidata: Q82476127
• Mol file: 99102-69-9.mol

Synonyms:Chenodeoxycholic Acid-d4;99102-69-9;(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-Tetradeuterio-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;Cholan-24-oic-2,2,4,4-d4 acid, 3,7-dihydroxy-, (3a,5b,7a)-;Chenodiol-d4;Chenodeoxycholic acid-2,2,4,4-d4;DTXSID80584459;HY-76847S;CHENODEOXYCHOLIC-2,2,4,4-D4 ACID;CS-0063283;F90597;Chenodeoxycholic acid-2,2,4,4-d4, 98 atom % D, 98% (CP);Chenodeoxycholic acid-D4, 100 mug/mL in methanol, certified reference material

Chemical Property of Chenodeoxycholic Acid-d4

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 165-167 °C(lit.)
• Refractive Index: 1.543
• Boiling Point: 547.148°C at 760 mmHg
• Flash Point: 298.768°C
• PSA: 77.76000
• Density: 1.14g/cm³
• LogP: 4.47790
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 396.31776674
• Heavy Atom Count: 28
• Complexity: 605

Purity/Quality:

99% ^*data from raw suppliers

Chenodeoxycholic Acid-d4 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

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