14597-16-1 Purity
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Specification
The molecular formula of Monatin is C14H16N2O5.
The molecular weight of Monatin is 292.29 g/mol.
The IUPAC name of Monatin is (2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid.
The InChI of Monatin is InChI=1S/C14H16N2O5/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20)/t10-,14-/m0/s1.
The InChIKey of Monatin is RMLYXMMBIZLGAQ-HZMBPMFUSA-N.
The canonical SMILES of Monatin is C1=CC=C2C(=C1)C(=CN2)CC(CC(C(=O)O)N)(C(=O)O)O.
The CAS number of Monatin is 146142-94-1.
The UNII of Monatin is TL342VQ3GR.
The XLogP3-AA value of Monatin is -2.2.
The hydrogen bond donor count of Monatin is 5.