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5-Hydroxymethyluracil-d3

CAT: 0804-HY-W004924SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W004924SSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-Hydroxymethyluracil-d3 is the deuterium labeled 5-Hydroxymethyluracil[1]. 5-Hydroxymethyluracil is a product of oxidative DNA damage. 5-Hydroxymethyluracil can be used as a potential epigenetic mark enhancing or inhibiting transcription with bacterial RNA polymerase[2][3].
CAS Number
352438-73-4
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Others
Purity
99
Solubility
10 mM in DMSO
Smiles
OC([2H])([2H])C(C(N1)=O)=C([2H])NC1=O
Molecular Formula
C5H3D3N2O3
Molecular Weight
145.13
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Djuric Z, et al. Quantitation of 5- (hydroxymethyl) uracil in DNA by gas chromatography with mass spectral detection. Chem Res Toxicol. 1991 Nov-Dec;4 (6) :687-91.|[3]Janoušková M, et al. 5- (Hydroxymethyl) uracil and -cytosine as potential epigenetic marks enhancing or inhibiting transcription with bacterial RNA polymerase. Chem Commun (Camb) . 2017 Dec 12;53 (99) :13253-13255.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

5-(Hydroxymethyl-D2)uracil-6-D1
CAS Number352438-73-4
PubChem CID92043416
IUPAC Name6-deuterio-5-[dideuterio(hydroxy)methyl]-1H-pyrimidine-2,4-dione
Molecular FormulaC5H6N2O3
Molecular Weight145.13
XLogP-1.9
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity209
SMILES
[2H]C1=C(C(=O)NC(=O)N1)C([2H])([2H])O
InChI
InChI=1S/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)/i1D,2D2
InChIKey
JDBGXEHEIRGOBU-APAIHEESSA-N
Chemical Structure
2D Structure
2D structure of 5-(Hydroxymethyl-D2)uracil-6-D1
CAS: 352438-73-4
CID: 92043416
Formula: C5H6N2O3
MW: 145.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.13
XLogP3-1.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass145.05667230
Monoisotopic Mass145.05667230
Topological Polar Surface Area78.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity209
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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