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3′-Deoxy-3′-methyluridine

CAT: 0804-HY-152294Size: 1 EachDry Ice: NoHazardous: No
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Description
3′-Deoxy-3′-methyluridine is a nucleoside derivative, involving in preparation inhibitors of RNA-dependent RNA viral polymerase[1].
CAS Number
444020-64-8
UNSPSC
12352005
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/3-deoxy-3-methyluridine.html
Solubility
10 mM in DMSO
Smiles
OC[C@@H]1[C@@H](C)[C@@H](O)[C@H](N2C(NC(C=C2)=O)=O)O1
Molecular Formula
C10H14N2O5
Molecular Weight
242.23
References & Citations
[1]Carroll Steven S, et al. Preparation of nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase: World Intellectual Property Organization, WO2002057425 A2. 2002-07-25.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-((2R,3R,4S,5S)-3-Hydroxy-5-(hydroxymethyl)-4-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
CAS Number444020-64-8
PubChem CID9899566
IUPAC Name1-[(2R,3R,4S,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC10H14N2O5
Molecular Weight242.23
XLogP-1.1
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity370
SMILES
C[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C10H14N2O5/c1-5-6(4-13)17-9(8(5)15)12-3-2-7(14)11-10(12)16/h2-3,5-6,8-9,13,15H,4H2,1H3,(H,11,14,16)/t5-,6-,8-,9-/m1/s1
InChIKey
ROXGEZDIYLPSSX-SQEXRHODSA-N
Chemical Structure
2D Structure
2D structure of 1-((2R,3R,4S,5S)-3-Hydroxy-5-(hydroxymethyl)-4-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
CAS: 444020-64-8
CID: 9899566
Formula: C10H14N2O5
MW: 242.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.23
XLogP3-1.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass242.09027155
Monoisotopic Mass242.09027155
Topological Polar Surface Area99.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity370
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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