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87190-85-0 | 3'-AMINO-2',3'-DIDEOXY-5-TRIFLUOROMETHYLURIDINE
CAS No: 87190-85-0 Catalog No: AG004JYL MDL No:
Product Description
Catalog Number:
AG004JYL
Chemical Name:
3'-AMINO-2',3'-DIDEOXY-5-TRIFLUOROMETHYLURIDINE
CAS Number:
87190-85-0
Molecular Formula:
C10H12F3N3O4
Molecular Weight:
295.2152
IUPAC Name:
1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C10H12F3N3O4/c11-10(12,13)4-2-16(9(19)15-8(4)18)7-1-5(14)6(3-17)20-7/h2,5-7,17H,1,3,14H2,(H,15,18,19)/t5-,6+,7+/m0/s1
InChI Key:
XMGRPHZCXLUGMR-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1N)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
295.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
295.218g/mol
Monoisotopic Mass:
295.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| 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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