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132149-49-6 | Uridine, 2',3'-dideoxy-3'-(2-methyl-4-nitro-1H-imidazol-1-yl)- (9CI)
CAS No: 132149-49-6 Catalog No: AG0010A4 MDL No:
Product Description
Catalog Number:
AG0010A4
Chemical Name:
Uridine, 2',3'-dideoxy-3'-(2-methyl-4-nitro-1H-imidazol-1-yl)- (9CI)
CAS Number:
132149-49-6
Molecular Formula:
C13H15N5O6
Molecular Weight:
337.2881
IUPAC Name:
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(2-methyl-4-nitroimidazol-1-yl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C13H15N5O6/c1-7-14-10(18(22)23)5-17(7)8-4-12(24-9(8)6-19)16-3-2-11(20)15-13(16)21/h2-3,5,8-9,12,19H,4,6H2,1H3,(H,15,20,21)/t8-,9+,12+/m0/s1
InChI Key:
UXHGVQQEYTYSKH-YGOYTEALSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1n1cc(nc1C)[N+](=O)[O-])n1ccc(=O)[nH]c1=O
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
337.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.292g/mol
Monoisotopic Mass:
337.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Synthesis of 3'-(4-nitroimidazol-1-yl)-2',3'-dideoxynucleosides of pyrimidine analogues and their biological evaluation against HIV. | Archiv der Pharmazie 19901201 |
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