Synonyms
Molecule Category Salt-form
UNII 1U72RT57II
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ZGFDJYDQUZAWKW-SIACPWFLSA-K
Smiles O.[Na+].[Na+].[Na+].OC[C@@H](O)[C@H]1O[Sb]2(O)(O[Sb]34([O-])O[C@H]([C@H](O)CO)[C@H](O3)[C@@H](O4)C(=O)[O-])O[C@@H]1[C@@H](O2)C(=O)[O-]
InChI
InChI=1S/2C6H9O7.3Na.2H2O.2O.2Sb/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;;;/h2*2-5,7-8H,1H2,(H,12,13);;;;2*1H2;;;;/q2*-3;3*+1;;;;-1;+3;+4/p-3/t2*2-,3-,4+,5-;;;;;;;;;/m11........./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19Na3O18Sb2
Molecular Weight 763.76

Cross References

Resources Reference
ChEMBL CHEMBL2313755
FDA SRS 1U72RT57II