71486-22-1 Purity
95%+
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Specification
The molecular formula is C20H20O9.
The molecular weight is 404.4 g/mol.
Some synonyms include 71607-31-3, (2S,3S)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate, and (+)-Di-1,4-toluoyl-D-tartaric acid monohydrate.
The IUPAC name is (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;hydrate.
The InChI is InChI=1S/C20H18O8.H2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1H2/t15-,16-;/m0./s1.
The InChIKey is FOTRUJUPLHRVNU-MOGJOVFKSA-N.
It has 3 hydrogen bond donor counts.
It has 9 hydrogen bond acceptor counts.
The topological polar surface area is 128 Å2.
It has 2 defined atom stereocenter counts.