3695-43-0 Purity
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Specification
The molecular formula is C9H12N2O5.
The molecular weight is 231.18 g/mol.
It was created on November 11, 2015.
It was last modified on December 30, 2023.
The IUPAC name is 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](2 13 C,1,3- 15 N2)pyrimidine-2,4-dione.
The InChI is InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i9+1,10+1,11+1.
The InChIKey is MXHRCPNRJAMMIM-XPWHOUBVSA-N.
The canonical SMILES is C1C(C(OC1N2C=CC(=O)NC2=O)CO)O.
The XLogP3 value is -1.6.
It has 3 hydrogen bond donor counts.