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3'-beta-C-Ethynyl-5-methyluridine

CAT: 0931-TNU0481-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0481-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
180300-52-1
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Others, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
Nucleoside Derivatives - 3'-Modified purine nucleosides
Smiles
C(#C)[C@@]1(O)[C@@H](CO)O[C@H]([C@@H]1O)N2C(=O)NC(=O)C(C)=C2
Molecular Formula
C12H14N2O6
Molecular Weight
282.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3'-c-Ethynyl-5-methyluridine
CAS Number180300-52-1
PubChem CID10684273
IUPAC Name1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular FormulaC12H14N2O6
Molecular Weight282.25
XLogP-2
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity535
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]([C@H](O2)CO)(C#C)O)O
InChI
InChI=1S/C12H14N2O6/c1-3-12(19)7(5-15)20-10(8(12)16)14-4-6(2)9(17)13-11(14)18/h1,4,7-8,10,15-16,19H,5H2,2H3,(H,13,17,18)/t7-,8+,10-,12-/m1/s1
InChIKey
GVFXQDTVLQIXNR-UJYYTQATSA-N
Chemical Structure
2D Structure
2D structure of 3'-c-Ethynyl-5-methyluridine
CAS: 180300-52-1
CID: 10684273
Formula: C12H14N2O6
MW: 282.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.25
XLogP3-2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass282.08518617
Monoisotopic Mass282.08518617
Topological Polar Surface Area119 Ų
Heavy Atom Count20
Formal Charge0
Complexity535
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
MBS58260773'-beta-C-Ethynyl-5-methyluridine
MBS58270902'-beta-C-Ethynyl-5-methyluridine
HY-1542022’-beta-C-Ethynyl-5-methyluridine
GTR19214041-015-Fluoro-3'-beta-C-methyluridine
HY-1523913’-beta-C-Methyl-5-methyluridine
GTR19215127-013'-beta-C-Methyl-5-methyluridine
HY-1541365-Fluoro-3’-beta-C-methyluridine
HY-1523883’-beta-C-Methyluridine
GTR19215128-013'-beta-C-Methyluridine
MBS58270843'-beta-C-Ethynyl-5-fluorouridine

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