93980-74-6 Purity
96%
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The molecular formula is C11H19NO10.
The molecular weight is 325.27 g/mol.
The IUPAC name is (2S)-2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]pentanedioic acid.
The InChI code is InChI=1S/C11H19NO10/c13-3-5(14)7(17)8(18)9(19)10(20)12-4(11(21)22)1-2-6(15)16/h4-5,7-9,13-14,17-19H,1-3H2,(H,12,20)(H,15,16)(H,21,22)/t4-,5+,7+,8-,9+/m0/s1.
The InChIKey is RALMEYHIPGGEHB-MLBSCHOTSA-N.
There are 8 hydrogen bond donor counts.
There are 10 hydrogen bond acceptor counts.
The XLogP3-AA value is -4.1.
The topological polar surface area is 205 Ų.
There are 5 defined atom stereocenter counts.