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142187-88-0 | 3-Cyclopentene-1,2-dimethanol, 5-(6-amino-9H-purin-9-yl)-, [1S-(1α,2β,5β)]- (9CI)
CAS No: 142187-88-0 Catalog No: AG001HXM MDL No:
Product Description
Catalog Number:
AG001HXM
Chemical Name:
3-Cyclopentene-1,2-dimethanol, 5-(6-amino-9H-purin-9-yl)-, [1S-(1α,2β,5β)]- (9CI)
CAS Number:
142187-88-0
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
IUPAC Name:
[4-(6-aminopurin-9-yl)-5-(hydroxymethyl)cyclopent-2-en-1-yl]methanol
InChI:
InChI=1S/C12H15N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)9-2-1-7(3-18)8(9)4-19/h1-2,5-9,18-19H,3-4H2,(H2,13,14,15)
InChI Key:
ZGCLIXGLQFSZRB-UHFFFAOYSA-N
SMILES:
OCC1C(CO)C=CC1n1cnc2c1ncnc2N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.285g/mol
Monoisotopic Mass:
261.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Resolution of 9-(c-4,t-5-bishydroxymethylcyclopent-2-en-r-1-yl)-9H-adenine and selective inhibition of human immunodeficiency virus by the (-) enantiomer. | Biochemical and biophysical research communications 19920415 |
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