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128526-53-4 | Uridine, 3'-azido-2',3'-dideoxy-, 5'-(1,4-dihydro-1-methyl-3-pyridinecarboxylate) (9CI)
CAS No: 128526-53-4 Catalog No: AG000Y6H MDL No:
Product Description
Catalog Number:
AG000Y6H
Chemical Name:
Uridine, 3'-azido-2',3'-dideoxy-, 5'-(1,4-dihydro-1-methyl-3-pyridinecarboxylate) (9CI)
CAS Number:
128526-53-4
Molecular Formula:
C16H18N6O5
Molecular Weight:
374.3513
IUPAC Name:
[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methyl-4H-pyridine-3-carboxylate
InChI:
InChI=1S/C16H18N6O5/c1-21-5-2-3-10(8-21)15(24)26-9-12-11(19-20-17)7-14(27-12)22-6-4-13(23)18-16(22)25/h2,4-6,8,11-12,14H,3,7,9H2,1H3,(H,18,23,25)/t11-,12+,14+/m0/s1
InChI Key:
FQUIMJFYHVMINU-OUCADQQQSA-N
SMILES:
[N-]=[N+]=N[C@H]1C[C@@H](O[C@@H]1COC(=O)C1=CN(C=CC1)C)n1ccc(=O)[nH]c1=O
Properties
Complexity:
784
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
374.134g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.357g/mol
Monoisotopic Mass:
374.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Brain targeting of anti-HIV nucleosides: synthesis and in vitro and in vivo studies of dihydropyridine derivatives of 3'-azido-2',3'-dideoxyuridine and 3'-azido-3'-deoxythymidine. | Journal of medicinal chemistry 19900801 |
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