Home Other Building Blocks Aspirin-acyl--D-glucuronide

Aspirin-acyl--D-glucuronide

CAS No.:
24719-72-0
Catalog Number:
AG00C2D5
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C2D5
Chemical Name:
Aspirin-acyl--D-glucuronide
CAS Number:
24719-72-0
MDL Number:
MFCD12756100
IUPAC Name:
(2S,3S,4S,5R,6S)-6-(2-acetyloxybenzoyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C15H16O10/c1-6(16)23-8-5-3-2-4-7(8)14(22)25-15-11(19)9(17)10(18)12(24-15)13(20)21/h2-5,9-12,15,17-19H,1H3,(H,20,21)/t9-,10-,11+,12-,15-/m0/s1
InChI Key:
VHJPVKQXMOFZPM-HJHSNUOESA-N
Properties
Complexity:
520  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
356.074g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
356.283g/mol
Monoisotopic Mass:
356.074g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties