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Home > Fluorides > 100244-26-6
100244-26-6 | 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-(2,2-difluoro-2-methoxyethyl)-
CAS No: 100244-26-6 Catalog No: AG0001CQ MDL No:
Product Description
Catalog Number:
AG0001CQ
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-β-D-erythro-pentofuranosyl)-6-(2,2-difluoro-2-methoxyethyl)-
CAS Number:
100244-26-6
Molecular Formula:
C11H15F2N3O6
Molecular Weight:
323.2501
IUPAC Name:
6-(2,2-difluoro-2-methoxyethyl)-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C11H15F2N3O6/c1-21-11(12,13)3-5-9(19)14-10(20)16(15-5)8-2-6(18)7(4-17)22-8/h6-8,17-18H,2-4H2,1H3,(H,14,19,20)/t6-,7+,8+/m0/s1
InChI Key:
AOZKTLVSDRBXSH-XLPZGREQSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1nc(CC(OC)(F)F)c(=O)[nH]c1=O
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
323.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
323.253g/mol
Monoisotopic Mass:
323.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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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