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13239-97-9

13239-97-9 | Cytidine, 2-thio-

CAS No: 13239-97-9 Catalog No: AG0010MW MDL No:

Product Description

Catalog Number:
AG0010MW
Chemical Name:
Cytidine, 2-thio-
CAS Number:
13239-97-9
Molecular Formula:
C9H13N3O4S
Molecular Weight:
259.2822
IUPAC Name:
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
InChI:
InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1
InChI Key:
RHFUOMFWUGWKKO-XVFCMESISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=S)N
EC Number:
236-214-8

Properties

Complexity:
386  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
259.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
259.28g/mol
Monoisotopic Mass:
259.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  

Literature

Title Journal
Formation of new base pairs between inosine and 5-methyl-2-thiocytidine derivatives. Organic & biomolecular chemistry 20120314
Modifications modulate anticodon loop dynamics and codon recognition of E. coli tRNA(Arg1,2). Journal of molecular biology 20120302
Competing pathways control host resistance to virus via tRNA modification and programmed ribosomal frameshifting. Molecular systems biology 20120101
Mechanism and Function of the Outer Membrane Channel TolC in Multidrug Resistance and Physiology of Enterobacteria. Frontiers in microbiology 20110101
Cryptic prophages help bacteria cope with adverse environments. Nature communications 20101221
Structure of a tryptophanyl-tRNA synthetase containing an iron-sulfur cluster. Acta crystallographica. Section F, Structural biology and crystallization communications 20101001
Acid-base and metal ion binding properties of 2-thiocytidine in aqueous solution. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20080601
A conserved modified wobble nucleoside (mcm5s2U) in lysyl-tRNA is required for viability in yeast. RNA (New York, N.Y.) 20070801
Collision-induced dissociation of cytidine and its derivatives. Journal of mass spectrometry : JMS 20070101
Phosphorylation of uridine and cytidine nucleoside analogs by two human uridine-cytidine kinases. Molecular pharmacology 20010501
Anti-herpesvirus activities and cytotoxicities of 2-thiopyrimidine nucleoside analogues in vitro. Antiviral chemistry & chemotherapy 19990701
Inhibition of sandfly fever Sicilian virus (Phlebovirus) replication in vitro by antiviral compounds. Research in virology 19970101

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