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Home > Other Building Blocks > 116597-13-8
116597-13-8 | Inosine, 3'-azido-2',3'-dideoxy- (9CI)
CAS No: 116597-13-8 Catalog No: AG000CUB MDL No:
Product Description
Catalog Number:
AG000CUB
Chemical Name:
Inosine, 3'-azido-2',3'-dideoxy- (9CI)
CAS Number:
116597-13-8
Molecular Formula:
C10H11N7O3
Molecular Weight:
277.2394
IUPAC Name:
9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H11N7O3/c11-16-15-5-1-7(20-6(5)2-18)17-4-14-8-9(17)12-3-13-10(8)19/h3-7,18H,1-2H2,(H,12,13,19)/t5-,6+,7+/m0/s1
InChI Key:
SEUFIMAGNSSKRT-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cnc2c1ncnc2O
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
277.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.244g/mol
Monoisotopic Mass:
277.092g/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 |
|---|---|
| 3'-Fluoro-2',3'-dideoxy-5-chlorouridine: most selective anti-HIV-1 agent among a series of new 2'- and 3'-fluorinated 2',3'-dideoxynucleoside analogues. | Journal of medicinal chemistry 19890801 |
| Enhanced in vitro inhibition of HIV-1 replication by 3'-fluoro-3'-deoxythymidine compared to several other nucleoside analogs. | AIDS research and human retroviruses 19881201 |
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