89291-23-6 Purity
98%
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Specification
The molecular formula is C6H9NO5.
The synonyms are 89829-69-6, 2-Acetamido-2,3,3-trideuteriobutanedioic acid, N-Acetyl-DL-aspartic acid-2,3,3-d3, N-Acetyl-D,L-Aspartic Acid 2,3,3-D3, and N-Acetyl-DL-aspartic-2,3,3-d3 Acid.
The molecular weight is 178.16 g/mol.
The IUPAC name is 2-acetamido-2,3,3-trideuteriobutanedioic acid.
The InChI is InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/i2D2,4D.
The InChIKey is OTCCIMWXFLJLIA-OVLJBECYSA-N.
The Canonical SMILES is CC(=O)NC(CC(=O)O)C(=O)O.
There are 3 hydrogen bond donor counts.
There are 5 hydrogen bond acceptor counts.
The topological polar surface area is 104Ų.