3-Methylthymidine
[CAS# 958-74-7]

Identification

• Name: 3-Methylthymidine
• Synonyms: 1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3,5-Dimethyl-Pyrimidine-2,4-Dione; 1-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-3,5-Dimethylpyrimidine-2,4-Dione; 1-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-3,5-D
• Molecular Formula: C₁₁H₁₆N₂O₅
• Molecular Weight: 256.26
• CAS Registry Number: 958-74-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)N2C(=O)N(C(=O)C(=C2)C)C
• InChI: 1S/C11H16N2O5/c1-6-4-13(11(17)12(2)10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,3,5H2,1-2H3/t7-,8+,9+/m0/s1
• InChIKey: JCVDICFLPGDHAT-DJLDLDEBSA-N

Properties

• Density: 1.409g/cm³ (Cal.)
• Boiling point: 457.734°C at 760 mmHg (Cal.)
• Flash point: 230.629°C (Cal.)

References

• (1): Nathan R. Rose, Michael A. McDonough, Oliver N. F. King, Akane Kawamura and Christopher J. Schofield. Inhibition of 2-oxoglutarate dependent oxygenases, Chem. Soc. Rev., 2011, 40, 4364.