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87190-80-5 | 3-Azido-2,3-dideoxy-5-fluorocytidine
CAS No: 87190-80-5 Catalog No: AG004JYO MDL No:
Product Description
Catalog Number:
AG004JYO
Chemical Name:
3-Azido-2,3-dideoxy-5-fluorocytidine
CAS Number:
87190-80-5
Molecular Formula:
C9H11FN6O3
Molecular Weight:
270.2204
IUPAC Name:
4-amino-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one
InChI:
InChI=1S/C9H11FN6O3/c10-4-2-16(9(18)13-8(4)11)7-1-5(14-15-12)6(3-17)19-7/h2,5-7,17H,1,3H2,(H2,11,13,18)/t5-,6+,7+/m0/s1
InChI Key:
WPVOAMIAPQZNOC-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(F)c(nc1=O)N
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
270.088g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.224g/mol
Monoisotopic Mass:
270.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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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