2'-Deoxyribavirin - CAS 40372-06-3
Catalog: |
BB068492 |
Product Name: |
2'-Deoxyribavirin |
CAS: |
40372-06-3 |
Synonyms: |
1-(2-Deoxy-β-D-erythro-pentofuranosyl)-1H-1,2,4-triazole-3-carboxamide; 1-(2-Deoxy-β-D-ribofuranosyl)-1,2,4-triazole-3-carboxamide |
IUPAC Name: | 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide |
Description: | 2'-Deoxyribavirin, is an intermediate used for the synthesis of 2'-Deoxyribavirin-5'-triphosphate (D249940), which is a potential new inhibitor for HIV-1 replication. In addition, the triphosphate analog may be incorporated with several naturally occuring nucleosides. |
Molecular Weight: | 228.21 |
Molecular Formula: | C8H12N4O4 |
Canonical SMILES: | C1C(C(OC1N2C=NC(=N2)C(=O)N)CO)O |
InChI: | InChI=1S/C8H12N4O4/c9-7(15)8-10-3-12(11-8)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,15)/t4-,5+,6+/m0/s1 |
InChI Key: | GODSJHAJEWFDAD-KVQBGUIXSA-N |
References: | Vivet-Boudou, V. et al. Nucleos. Nucleot. Nucl., 26, 743 (2007). |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.08585488 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.08585488 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 124Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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