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100244-31-3 | 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-(3-furanyl)-
CAS No: 100244-31-3 Catalog No: AG0001CO MDL No:
Product Description
Catalog Number:
AG0001CO
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-(3-furanyl)-
CAS Number:
100244-31-3
Molecular Formula:
C12H13N3O6
Molecular Weight:
295.2481
IUPAC Name:
6-(furan-3-yl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C12H13N3O6/c16-4-8-7(17)3-9(21-8)15-12(19)13-11(18)10(14-15)6-1-2-20-5-6/h1-2,5,7-9,16-17H,3-4H2,(H,13,18,19)/t7-,8+,9+/m0/s1
InChI Key:
ICOUJRSYGBMUAI-DJLDLDEBSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1nc(c2cocc2)c(=O)[nH]c1=O
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
295.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.251g/mol
Monoisotopic Mass:
295.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral properties of 5-(2-substituted vinyl)-6-aza-2'-deoxyuridines. | Journal of medicinal chemistry 19860501 |
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