Chemical Property of (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxybenzoyl)oxyoxane-2-carboxylic acid
Chemical Property:
- Vapor Pressure:1.13E-14mmHg at 25°C
- Boiling Point:588.1°Cat760mmHg
- Flash Point:225.1°C
- PSA：153.75000
- Density:1.72g/cm3
- LogP:-1.55880
- Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
- Solubility.:DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- XLogP3:0.1
- Hydrogen Bond Donor Count:5
- Hydrogen Bond Acceptor Count:9
- Rotatable Bond Count:4
- Exact Mass:314.06378202
- Heavy Atom Count:22
- Complexity:426
- Purity/Quality:
-
99% *data from raw suppliers
Salicylic acid-acyl-b-D-glucuronide *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:C1=CC=C(C(=C1)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O
- Isomeric SMILES:C1=CC=C(C(=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O
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Uses
Salicylic Acid Acyl-β-D-glucuronide is a metabolite of Salicylic Acid (S088125), an impurity of Acetylsalicylic Acid (A187780). Acetylsalicylic Acid Impurity B.
