Thymidine-[2'-13C]

Category	Endogenous Metabolite
CAS	185553-96-2
Description	As the labelled version of Thymidine, Thymidine-[2'-13C] is a constituent of deoxyribonucleic acid.

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Synonyms	1-(2-Deoxy-β-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione-2'-13C; 1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methyl-2,4(1H,3H)-Pyrimidinedione-2'-13C; 2'-Deoxythymidine-2'-13C; 5-Methyl-2'-deoxyuridine-2'-13C
IUPAC Name	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(3-13C)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Molecular Weight	243.22
Molecular Formula	C9[13C]H14N2O5
Canonical SMILES	CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
InChI	InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2+1
InChIKey	IQFYYKKMVGJFEH-IWTXITHASA-N
Melting Point	184-186°C
Purity	98%
Solubility	Soluble in DMSO, Methanol
Appearance	White Solid
Storage	Store at -20°C
Complexity	381
Exact Mass	243.09362639
In Vitro	Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
PSA	104.55000
Target	DNA/RNA Synthesis; Endogenous Metabolite; Orthopoxvirus
XLogP3-AA	-1.2