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trans-Abacavir Hydrochloride

CAS No.:
267668-71-3
Catalog Number:
AG00C2NA
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C2NA
Chemical Name:
trans-Abacavir Hydrochloride
CAS Number:
267668-71-3
MDL Number:
MFCD28138130
IUPAC Name:
[(1R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;hydrochloride
InChI:
InChI=1S/C14H18N6O.ClH/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21;/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19);1H/t8-,10-;/m0./s1
InChI Key:
QXNOPHSMRJNHHG-GNAZCLTHSA-N
Properties
Complexity:
414  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
322.131g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
322.797g/mol
Monoisotopic Mass:
322.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties