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127027-50-3 | 5'-Guanylic acid, 2'-deoxy-7,8-dihydro-8-oxo-
CAS No: 127027-50-3 Catalog No: AG000WL1 MDL No:
Product Description
Catalog Number:
AG000WL1
Chemical Name:
5'-Guanylic acid, 2'-deoxy-7,8-dihydro-8-oxo-
CAS Number:
127027-50-3
Molecular Formula:
C10H14N5O8P
Molecular Weight:
363.2206
IUPAC Name:
[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI:
InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1
InChI Key:
AQIVLFLYHYFRKU-VPENINKCSA-N
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1c(=O)[nH]c2c1nc(N)[nH]c2=O
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
363.058g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
363.223g/mol
Monoisotopic Mass:
363.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
Literature
| Title | Journal |
|---|---|
| NDX-1 protein hydrolyzes 8-oxo-7, 8-dihydrodeoxyguanosine-5'-diphosphate to sanitize oxidized nucleotides and prevent oxidative stress in Caenorhabditis elegans. | Journal of biochemistry 20111201 |
| Crystal structure of human MTH1 and the 8-oxo-dGMP product complex. | FEBS letters 20110819 |
| Enhanced resolution of molecular recognition to distinguish structurally similar molecules by different conformational responses of a protein upon ligand binding. | Journal of structural biology 20110101 |
| Crystallization and preliminary X-ray analysis of human MTH1 complexed with two oxidized nucleotides, 8-oxo-dGMP and 2-oxo-dATP. | Acta crystallographica. Section F, Structural biology and crystallization communications 20061201 |
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