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Home > Fluorides > 100244-27-7
100244-27-7 | 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)-
CAS No: 100244-27-7 Catalog No: AG0001CP MDL No:
Product Description
Catalog Number:
AG0001CP
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)-
CAS Number:
100244-27-7
Molecular Formula:
C10H12F3N3O5
Molecular Weight:
311.2146
IUPAC Name:
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2,2-trifluoroethyl)-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C10H12F3N3O5/c11-10(12,13)2-4-8(19)14-9(20)16(15-4)7-1-5(18)6(3-17)21-7/h5-7,17-18H,1-3H2,(H,14,19,20)/t5-,6+,7+/m0/s1
InChI Key:
ZELMDIQXLJNQQP-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1nc(CC(F)(F)F)c(=O)[nH]c1=O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
311.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
311.217g/mol
Monoisotopic Mass:
311.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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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