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Abacavir 5'-Glucuronide

CAS No.:
384329-76-4
Catalog Number:
AG00C9Y6
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C9Y6
Chemical Name:
Abacavir 5'-Glucuronide
CAS Number:
384329-76-4
MDL Number:
MFCD11977960
IUPAC Name:
(2S,3S,4S,5R,6R)-6-[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI:
InChI=1S/C20H26N6O7/c21-20-24-16(23-9-2-3-9)11-17(25-20)26(7-22-11)10-4-1-8(5-10)6-32-19-14(29)12(27)13(28)15(33-19)18(30)31/h1,4,7-10,12-15,19,27-29H,2-3,5-6H2,(H,30,31)(H3,21,23,24,25)/t8-,10+,12+,13+,14-,15+,19-/m1/s1
InChI Key:
WGTDUQBKKUUVMK-OLMRCODSSA-N
UNII:
2630IZQ0I0
Properties
Complexity:
756  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
462.186g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
462.463g/mol
Monoisotopic Mass:
462.186g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties