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3'-Deoxy-5-methoxyuridine

CAT: 0931-TNU0253-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0253-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095417-49-3
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
Nucleoside Derivatives - 3'-Deoxy nucleosides, 5-Modified pyrimidine nucleosides
Smiles
O=C1N(C=C(OC)C(=O)N1)[C@@H]2O[C@H](CO)C[C@H]2O
Molecular Formula
C10H14N2O6
Molecular Weight
258.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3'-Deoxy-5-methoxyuridine
CAS Number2095417-49-3
PubChem CID168449732
IUPAC Name1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
Molecular FormulaC10H14N2O6
Molecular Weight258.23
XLogP-1.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity396
SMILES
COC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)CO)O
InChI
InChI=1S/C10H14N2O6/c1-17-7-3-12(10(16)11-8(7)15)9-6(14)2-5(4-13)18-9/h3,5-6,9,13-14H,2,4H2,1H3,(H,11,15,16)/t5-,6+,9+/m0/s1
InChIKey
QAOLFGCSNYUCSI-CCGCGBOQSA-N
Chemical Structure
2D Structure
2D structure of 3'-Deoxy-5-methoxyuridine
CAS: 2095417-49-3
CID: 168449732
Formula: C10H14N2O6
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass258.08518617
Monoisotopic Mass258.08518617
Topological Polar Surface Area108 Ų
Heavy Atom Count18
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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