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106060-85-9 | 6,9-Epoxy-2H,6H-pyrimido[2,1-b][1,3]oxazocin-2-one,8-azido-7,8,9,10-tetrahydro-3-methyl-, (6R,8S,9S)-
CAS No: 106060-85-9 Catalog No: AG007VXH MDL No:
Product Description
Catalog Number:
AG007VXH
Chemical Name:
6,9-Epoxy-2H,6H-pyrimido[2,1-b][1,3]oxazocin-2-one,8-azido-7,8,9,10-tetrahydro-3-methyl-, (6R,8S,9S)-
CAS Number:
106060-85-9
Molecular Formula:
C10H11N5O3
Molecular Weight:
249.2260
IUPAC Name:
(1R,10S,11S)-11-azido-4-methyl-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
InChI:
InChI=1S/C10H11N5O3/c1-5-3-15-8-2-6(13-14-11)7(18-8)4-17-10(15)12-9(5)16/h3,6-8H,2,4H2,1H3/t6-,7+,8+/m0/s1
InChI Key:
GHYVQWKIJDRIPJ-XLPZGREQSA-N
SMILES:
[N-]=[N+]=N[C@H]1C[C@H]2O[C@@H]1COc1n2cc(C)c(=O)n1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
249.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.23g/mol
Monoisotopic Mass:
249.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of several 2,5'-anhydro analogues of 3'-azido-3'-deoxythymidine, 3'-azido-2',3'-dideoxyuridine, 3'-azido-2',3'-dideoxy-5-halouridines, and 3'-deoxythymidine against human immunodeficiency virus and Rauscher-murine leukemia virus. | Journal of medicinal chemistry 19890801 |
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