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100348-16-1 | 1,2,4-Triazine-3,5(2H,4H)-dione, 6-(2-bromo-2-fluoroethenyl)-2-(2-deoxy-β-D-erythro-pentofuranosyl)-, (E)- (9CI)
CAS No: 100348-16-1 Catalog No: AG0001O8 MDL No:
Product Description
Catalog Number:
AG0001O8
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 6-(2-bromo-2-fluoroethenyl)-2-(2-deoxy-β-D-erythro-pentofuranosyl)-, (E)- (9CI)
CAS Number:
100348-16-1
Molecular Formula:
C10H11BrFN3O5
Molecular Weight:
352.1138
IUPAC Name:
6-[(E)-2-bromo-2-fluoroethenyl]-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C10H11BrFN3O5/c11-7(12)1-4-9(18)13-10(19)15(14-4)8-2-5(17)6(3-16)20-8/h1,5-6,8,16-17H,2-3H2,(H,13,18,19)/b7-1-/t5-,6+,8+/m0/s1
InChI Key:
PZHAXONLZUCDNN-GRMGBRLTSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1nc(/C=C(/Br)\F)c(=O)[nH]c1=O
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
350.987g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.116g/mol
Monoisotopic Mass:
350.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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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