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Home Halogens Guanosine, 8-bromo-2'-deoxy-

Guanosine, 8-bromo-2'-deoxy-

CAS No.:
13389-03-2
Catalog Number:
AG00HT2S
Molecular Formula:
C10H12BrN5O4
Molecular Weight:
346.1374
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Product Description
Catalog Number:
AG00HT2S
Chemical Name:
Guanosine, 8-bromo-2'-deoxy-
CAS Number:
13389-03-2
Molecular Formula:
C10H12BrN5O4
Molecular Weight:
346.1374
MDL Number:
MFCD01630971
IUPAC Name:
2-amino-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4+,5+/m0/s1
InChI Key:
MKDXZFVCXWXGBQ-VPENINKCSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1c(Br)nc2c1nc(N)[nH]c2=O
Properties
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
345.007g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
346.141g/mol
Monoisotopic Mass:
345.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Direct detection of thrombin binding to 8-bromodeoxyguanosine-modified aptamer: effects of modification on affinity and kinetics. Journal of nucleic acids 20110101
Chemical and immunochemical detection of 8-halogenated deoxyguanosines at early stage inflammation. The Journal of biological chemistry 20100319
A general synthesis of C8-arylpurine phosphoramidites. Molecules (Basel, Switzerland) 20090902
Biophysical properties of quadruplexes containing two or three 8-bromodeoxyguanosine residues. Nucleosides, nucleotides & nucleic acids 20070101
Chemical synthesis of 2'-deoxyguanosine-C8 adducts with heterocyclic amines: an application to synthesis of oligonucleotides site-specifically adducted with 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine. Chemical research in toxicology 20060601
Effects of an 8-bromodeoxyguanosine incorporation on the parallel quadruplex structure [d(TGGGT)]4. Organic & biomolecular chemistry 20040207
Properties