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138571-54-7 | 3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)-3-[(1R)-1-hydroxyethyl]-, (1S,2R,5R)-
CAS No: 138571-54-7 Catalog No: AG0018S7 MDL No:
Product Description
Catalog Number:
AG0018S7
Chemical Name:
3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)-3-[(1R)-1-hydroxyethyl]-, (1S,2R,5R)-
CAS Number:
138571-54-7
Molecular Formula:
C12H15N5O3
Molecular Weight:
277.2792
IUPAC Name:
(2R,5R)-5-(6-aminopurin-9-yl)-3-[(1R)-1-hydroxyethyl]cyclopent-3-ene-1,2-diol
InChI:
InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7-,9-,10?/m1/s1
InChI Key:
CDKUWLLYHVOVCD-IECXKTIHSA-N
SMILES:
O[C@@H]1[C@H](O)C(=C[C@H]1n1cnc2c1ncnc2N)[C@H](O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
277.117g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
277.284g/mol
Monoisotopic Mass:
277.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
| Title | Journal |
|---|---|
| New neplanocin analogues. 12. Alternative synthesis and antimalarial effect of (6'R)-6'-C-methylneplanocin A, a potent AdoHcy hydrolase inhibitor. | Journal of medicinal chemistry 20020131 |
| Antiviral activities of ribavirin, 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide, and 6'-(R)-6'-C-methylneplanocin A against several ortho- and paramyxoviruses. | Antimicrobial agents and chemotherapy 19920201 |
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