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87190-84-9 | 3'-AZIDO-2',3'-DIDEOXY-5-TRIFLUOROMETHYLURIDINE
CAS No: 87190-84-9 Catalog No: AG004JYM MDL No:
Product Description
Catalog Number:
AG004JYM
Chemical Name:
3'-AZIDO-2',3'-DIDEOXY-5-TRIFLUOROMETHYLURIDINE
CAS Number:
87190-84-9
Molecular Formula:
C10H10F3N5O4
Molecular Weight:
321.2127
IUPAC Name:
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C10H10F3N5O4/c11-10(12,13)4-2-18(9(21)15-8(4)20)7-1-5(16-17-14)6(3-19)22-7/h2,5-7,19H,1,3H2,(H,15,20,21)/t5-,6+,7+/m0/s1
InChI Key:
LYWDBOUHROZMIU-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(c(=O)[nH]c1=O)C(F)(F)F
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
321.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.216g/mol
Monoisotopic Mass:
321.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of various 3'-azido analogues of pyrimidine deoxyribonucleosides against human immunodeficiency virus (HIV-1, HTLV-III/LAV). | Journal of medicinal chemistry 19880201 |
| Synthesis and antiviral activity of various 3'-azido, 3'-amino, 2',3'-unsaturated, and 2',3'-dideoxy analogues of pyrimidine deoxyribonucleosides against retroviruses. | Journal of medicinal chemistry 19870201 |
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