95873-70-4 Purity
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Specification
The molecular formula of 3-Methylthymidine is C11H16N2O5.
The molecular weight of 3-Methylthymidine is 256.25 g/mol.
The IUPAC name of 3-Methylthymidine is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione.
The InChI of 3-Methylthymidine is 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.
The InChIKey of 3-Methylthymidine is JCVDICFLPGDHAT-DJLDLDEBSA-N.
The canonical SMILES of 3-Methylthymidine is CC1=CN(C(=O)N(C1=O)C)C2CC(C(O2)CO)O.
The XLogP3 value of 3-Methylthymidine is -1.
There are 2 hydrogen bond donor counts in 3-Methylthymidine.
There are 5 hydrogen bond acceptor counts in 3-Methylthymidine.