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127592-40-9 | Uridine, 5-chloro-2',3'-dideoxy-
CAS No: 127592-40-9 Catalog No: AG000X7R MDL No:
Product Description
Catalog Number:
AG000X7R
Chemical Name:
Uridine, 5-chloro-2',3'-dideoxy-
CAS Number:
127592-40-9
Molecular Formula:
C9H11ClN2O4
Molecular Weight:
246.6476
IUPAC Name:
5-chloro-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C9H11ClN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h3,5,7,13H,1-2,4H2,(H,11,14,15)/t5-,7+/m0/s1
InChI Key:
VMZOLVOHWONZSQ-CAHLUQPWSA-N
SMILES:
OC[C@@H]1CC[C@@H](O1)n1cc(Cl)c(=O)[nH]c1=O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.647g/mol
Monoisotopic Mass:
246.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Inhibition of Mycobacterium tuberculosis, Mycobacterium bovis, and Mycobacterium avium by novel dideoxy nucleosides. | Journal of medicinal chemistry 20070920 |
| Synthesis and anti-HIV evaluation of 2',3'-dideoxyribo-5-chloropyrimidine analogues: reduced toxicity of 5-chlorinated 2',3'-dideoxynucleosides. | Journal of medicinal chemistry 19900601 |
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