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126543-49-5 | Uridine, 2'-azido-5-bromo-2',3'-dideoxy- (9CI)
CAS No: 126543-49-5 Catalog No: AG000SXH MDL No:
Product Description
Catalog Number:
AG000SXH
Chemical Name:
Uridine, 2'-azido-5-bromo-2',3'-dideoxy- (9CI)
CAS Number:
126543-49-5
Molecular Formula:
C9H10BrN5O4
Molecular Weight:
332.1108
IUPAC Name:
1-[(2R,3R,5S)-3-azido-5-(hydroxymethyl)oxolan-2-yl]-5-bromopyrimidine-2,4-dione
InChI:
InChI=1S/C9H10BrN5O4/c10-5-2-15(9(18)12-7(5)17)8-6(13-14-11)1-4(3-16)19-8/h2,4,6,8,16H,1,3H2,(H,12,17,18)/t4-,6+,8+/m0/s1
InChI Key:
CDGNLWBJXWZODP-CVTKMRTPSA-N
SMILES:
[N-]=[N+]=N[C@@H]1C[C@H](O[C@H]1n1cc(Br)c(=O)[nH]c1=O)CO
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
330.992g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.114g/mol
Monoisotopic Mass:
330.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| 2'-azido-2',3'-dideoxypyrimidine nucleosides. Synthesis and antiviral activity against human immunodeficiency virus. | Journal of medicinal chemistry 19900601 |
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