Aspirin-acyl--D-glucuronide
-
Aspirin-acyl--D-glucuronide
structure -
-
CAS No:
24719-72-0
-
Formula:
C15H16O10
-
Chemical Name:
Aspirin-acyl--D-glucuronide
-
Synonyms:
1-[2-(Acetyloxy)benzoate] -D-Glucopyranuronic Acid;1-Salicylate Monoacetate -D-Glucopyranuronic Acid;Acetylsalicylic Acid Acyl--D-glucuronide;Aspirin-acyl--D-glucuronide;2-Acetylsalicylic acid acyl-b-D-glucuronide;2-Acetylsalicylic acid acyl-β-D-glucuronide;Acetylsalicylic acid-acyl-beta-D-glucuronide, ASA-acyl-beta-D-glucuronide, 2-Acetoxybenzoic acid-acyl-beta-D-glucuronide;Aspirin-acyl-beta-D-glucuronide min. 95%
-
CAS No:
Characteristics
160
-0.4
1.61±0.1 g/cm3(Predicted)
145-147°C
592.532ºC at 760 mmHg
219.46ºC
1.625
Hygroscopic, -20°C Freezer, Under Inert Atmosphere
0mmHg at 25°C
Aspirin-acyl--D-glucuronide Use and Manufacturing
A significant metabolite of Salicylic acid (SA) and Aspirin
Computed Properties
Molecular Weight:356.28
XLogP3:-0.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:356.07434670
Monoisotopic Mass:356.07434670
Topological Polar Surface Area:160
Heavy Atom Count:25
Complexity:520
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes