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3608-58-0 | 2-Amino-9-((2R,3R,5S);-3-hydroxy-5-(hydroxymethyl);tetrahydrofuran-2-yl);-1H-purin-6(9H);-one
CAS No: 3608-58-0 Catalog No: AG003GIZ MDL No:
Product Description
Catalog Number:
AG003GIZ
Chemical Name:
2-Amino-9-((2R,3R,5S);-3-hydroxy-5-(hydroxymethyl);tetrahydrofuran-2-yl);-1H-purin-6(9H);-one
CAS Number:
3608-58-0
Molecular Formula:
C10H13N5O4
Molecular Weight:
267.2413
IUPAC Name:
2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1
InChI Key:
OROIAVZITJBGSM-OBXARNEKSA-N
SMILES:
OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1nc(N)[nH]c2=O)O
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
267.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
267.245g/mol
Monoisotopic Mass:
267.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of S-acyl-2-thioethyl esters of modified nucleoside 5'-monophosphates as inhibitors of hepatitis C virus RNA replication. | Journal of medicinal chemistry 20050224 |
| Structure-activity relationship of purine ribonucleosides for inhibition of hepatitis C virus RNA-dependent RNA polymerase. | Journal of medicinal chemistry 20040422 |
| Inhibition of the replication of a hepatitis C virus-like RNA template by interferon and 3'-deoxycytidine. | Antiviral chemistry & chemotherapy 20021101 |
| Influence of twenty potentially antiviral substances on in vitro multiplication of hepatitis A virus. | Antiviral research 19860301 |
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