Home Other Building Blocks Xanthosine, 2'-deoxy-

Xanthosine, 2'-deoxy-

CAS No.:
29049-22-7
Catalog Number:
AG002VBP
Molecular Formula:
C10H12N4O5
Molecular Weight:
268.2261
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Product Description
Catalog Number:
AG002VBP
Chemical Name:
Xanthosine, 2'-deoxy-
CAS Number:
29049-22-7
Molecular Formula:
C10H12N4O5
Molecular Weight:
268.2261
MDL Number:
MFCD18643182
IUPAC Name:
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
InChI:
InChI=1S/C10H12N4O5/c15-2-5-4(16)1-6(19-5)14-3-11-7-8(14)12-10(18)13-9(7)17/h3-6,15-16H,1-2H2,(H2,12,13,17,18)/t4-,5+,6+/m0/s1
InChI Key:
NQAZHXBSLFDVKM-KVQBGUIXSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(=O)[nH]c2=O
Properties
Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
268.081g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
268.229g/mol
Monoisotopic Mass:
268.081g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
Human endonuclease V as a repair enzyme for DNA deamination. Mutation research 20120701
Steric and electrostatic effects at the C2 atom substituent influence replication and miscoding of the DNA deamination product deoxyxanthosine and analogs by DNA polymerases. Journal of molecular biology 20090918
Radiation metabolomics. 2. Dose- and time-dependent urinary excretion of deaminated purines and pyrimidines after sublethal gamma-radiation exposure in mice. Radiation research 20090701
Modeling of Escherichia coli Endonuclease V structure in complex with DNA. Journal of molecular modeling 20090201
Active site plasticity of endonuclease V from Salmonella typhimurium. Biochemistry 20050118
Thermal stability of triple helical DNAs containing 2'-deoxyinosine and 2'-deoxyxanthosine. Bioorganic & medicinal chemistry 20041215
Translesion synthesis past 2'-deoxyxanthosine, a nitric oxide-derived DNA adduct, by mammalian DNA polymerases. Journal of molecular biology 20041126
Absence of 2'-deoxyoxanosine and presence of abasic sites in DNA exposed to nitric oxide at controlled physiological concentrations. Chemical research in toxicology 20030901
Stability, miscoding potential, and repair of 2'-deoxyxanthosine in DNA: implications for nitric oxide-induced mutagenesis. Biochemistry 20030401
Properties