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132101-33-8 | Uridine, 3'-azido-2',3',5'-trideoxy-5'-isocyano- (9CI)
CAS No: 132101-33-8 Catalog No: AG001083 MDL No:
Product Description
Catalog Number:
AG001083
Chemical Name:
Uridine, 3'-azido-2',3',5'-trideoxy-5'-isocyano- (9CI)
CAS Number:
132101-33-8
Molecular Formula:
C10H10N6O3
Molecular Weight:
262.2248
IUPAC Name:
1-[(2R,4S,5R)-4-azido-5-(isocyanomethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C10H10N6O3/c1-12-5-7-6(14-15-11)4-9(19-7)16-3-2-8(17)13-10(16)18/h2-3,6-7,9H,4-5H2,(H,13,17,18)/t6-,7+,9+/m0/s1
InChI Key:
IGAWFONCMKMKOH-LKEWCRSYSA-N
SMILES:
[C-]#[N+]C[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1ccc(=O)[nH]c1=O
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
262.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.229g/mol
Monoisotopic Mass:
262.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and antiretrovirus properties of 5'-isocyano-5'-deoxythymidine, 5'-isocyano-2',5'-dideoxyuridine, 3'-azido-5'-isocyano-3',5'-dideoxythymidine, and 3'-azido-5'-isocyano-2',3',5'-trideoxyuridine. | Journal of medicinal chemistry 19910401 |
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