180272-14-4 Purity
95%
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Specification
The molecular formula is C10H16N2O8.
The synonyms are EDDS, N,N'-Ethylenediamine disuccinic acid, and (2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))disuccinic acid.
The molecular weight is 292.24 g/mol.
It was created on August 1, 2005.
It was last modified on October 21, 2023.
The IUPAC name is (2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic acid.
The InChI is InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1.
The InChIKey is VKZRWSNIWNFCIQ-WDSKDSINSA-N.
Other identifiers include CAS number 20846-91-7, EC number 682-220-2, UNII 5WK2FGJ113, DSSTox Substance ID DTXSID1051852, and CHEMBL ID CHEMBL5085406.
The computed properties include a molecular weight of 292.24 g/mol, XLogP3-AA of -6.9, 6 hydrogen bond donor count, 10 hydrogen bond acceptor count, 11 rotatable bond count, 173Ų topological polar surface area, 20 heavy atom count, and a complexity of 348.