Chemical Property of Allocholic acid
Chemical Property:
- Vapor Pressure:4.59E-16mmHg at 25°C
- Melting Point:250-251
- Boiling Point:583.9°C at 760 mmHg
- PKA:4.76±0.10(Predicted)
- Flash Point:321°C
- PSA：97.99000
- Density:1.184g/cm3
- LogP:3.44870
- Storage Temp.:-20°C Freezer
- Solubility.:DMSO (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly, Heated)
- XLogP3:3.6
- Hydrogen Bond Donor Count:4
- Hydrogen Bond Acceptor Count:5
- Rotatable Bond Count:4
- Exact Mass:408.28757437
- Heavy Atom Count:29
- Complexity:637
- Purity/Quality:
-
97% *data from raw suppliers
ALLOCHOLIC ACID 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
- Isomeric SMILES:C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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Uses
Has wide-spread occurrence in a number of sources, including man as a major biliary metabolite
