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132149-52-1 | Uridine, 5-chloro-2',3'-dideoxy-3'-(4-nitro-1H-imidazol-1-yl)- (9CI)
CAS No: 132149-52-1 Catalog No: AG0010A3 MDL No:
Product Description
Catalog Number:
AG0010A3
Chemical Name:
Uridine, 5-chloro-2',3'-dideoxy-3'-(4-nitro-1H-imidazol-1-yl)- (9CI)
CAS Number:
132149-52-1
Molecular Formula:
C12H12ClN5O6
Molecular Weight:
357.7066
IUPAC Name:
5-chloro-1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-nitroimidazol-1-yl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C12H12ClN5O6/c13-6-2-17(12(21)15-11(6)20)10-1-7(8(4-19)24-10)16-3-9(14-5-16)18(22)23/h2-3,5,7-8,10,19H,1,4H2,(H,15,20,21)/t7-,8+,10+/m0/s1
InChI Key:
MOPJAMVVBHXJQG-QXFUBDJGSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1n1cnc(c1)[N+](=O)[O-])n1cc(Cl)c(=O)[nH]c1=O
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
357.048g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.707g/mol
Monoisotopic Mass:
357.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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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