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2'-O- (2-Methoxyethyl) inosine

CAT: 0931-TNU0561-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0561-01Size:10 mg
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CAS Number
545374-76-3
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
2'-O- (2-Methoxyethyl) inosine is a Nucleoside Derivative - 2'-Modified nucleoside.
Smiles
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=CN3
Molecular Formula
C13H18N4O6
Molecular Weight
326.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2'-o-(2-Methoxyethyl)inosine
CAS Number545374-76-3
PubChem CID136161601
IUPAC Name9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-1H-purin-6-one
Molecular FormulaC13H18N4O6
Molecular Weight326.31
XLogP-0.9
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity464
SMILES
COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CNC3=O)CO)O
InChI
InChI=1S/C13H18N4O6/c1-21-2-3-22-10-9(19)7(4-18)23-13(10)17-6-16-8-11(17)14-5-15-12(8)20/h5-7,9-10,13,18-19H,2-4H2,1H3,(H,14,15,20)/t7-,9-,10-,13-/m1/s1
InChIKey
YVCRYUJBJVEBAK-QYVSTXNMSA-N
Chemical Structure
2D Structure
2D structure of 2'-o-(2-Methoxyethyl)inosine
CAS: 545374-76-3
CID: 136161601
Formula: C13H18N4O6
MW: 326.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.31
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass326.12263431
Monoisotopic Mass326.12263431
Topological Polar Surface Area127 Ų
Heavy Atom Count23
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-152516-012’-O- (2-Methoxyethyl) inosine
MBS58261572'-O-(2-Methoxyethyl) inosine
GTR19214932-012'-O- (2-Methoxyethyl) inosine
HY-1525773’-O- (2-Methoxyethyl) inosine
MBS58261613'-O-(2-Methoxyethyl) inosine
GTR19214928-013'-O- (2-Methoxyethyl) inosine
HY-152571N1-Methyl-2’-O- (2-methoxyethyl) inosine
MBS5826158N1-Methyl-2'-O-(2-methoxyethyl) inosine
GTR19214931-01N1-Methyl-2'-O- (2-methoxyethyl) inosine
HY-152587N1-Methyl-3’-O- (2-methoxyethyl) inosine

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