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120826-42-8 | 6,9-Epoxy-2H,6H-pyrimido[2,1-b][1,3]oxazocin-2-one,8-azido-7,8,9,10-tetrahydro-3-iodo-, [6R-(6a,8a,9a)]- (9CI)
CAS No: 120826-42-8 Catalog No: AG007PKT MDL No:
Product Description
Catalog Number:
AG007PKT
Chemical Name:
6,9-Epoxy-2H,6H-pyrimido[2,1-b][1,3]oxazocin-2-one,8-azido-7,8,9,10-tetrahydro-3-iodo-, [6R-(6a,8a,9a)]- (9CI)
CAS Number:
120826-42-8
Molecular Formula:
C9H8IN5O3
Molecular Weight:
361.0960
IUPAC Name:
(1R,10S,11S)-11-azido-4-iodo-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
InChI:
InChI=1S/C9H8IN5O3/c10-4-2-15-7-1-5(13-14-11)6(18-7)3-17-9(15)12-8(4)16/h2,5-7H,1,3H2/t5-,6+,7+/m0/s1
InChI Key:
ZIJPHYKZPQZKAJ-RRKCRQDMSA-N
SMILES:
[N-]=[N+]=N[C@H]1C[C@@H]2O[C@@H]1COc1n2cc(I)c(=O)n1
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
360.967g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.099g/mol
Monoisotopic Mass:
360.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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