disodium (2S,3R,4S,5S)-2-(phosphonatomethylsulfanyl)oxane-3,4,5-triol

Systemtic Name: disodium (2S,3R,4S,5S)-2-(phosphonatomethylsulfanyl)oxane-3,4,5-triol Openeye Name: disodium (2S,3R,4S,5S)-2-(phosphonatomethylsulfanyl)tetrahydropyran-3,4,5-triol CAS Name: disodium (2S,3R,4S,5S)-2-(phosphonatomethylthio)oxane-3,4,5-triol IUPAC Name: disodium (2S,3R,4S,5S)-2-(phosphonatomethylsulfanyl)oxane-3,4,5-triol Traditional Name: disodium (2S,3R,4S,5S)-2-(phosphonatomethylthio)tetrahydropyran-3,4,5-triol Formula: C6H11Na2O7PS MolecularWeight: 304.165641

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)SCP(=O)([O-])[O-])O)O)O.[Na+].[Na+]

Isomeric SMILES

C1[C@@H]([C@@H]([C@H]([C@@H](O1)SCP(=O)([O-])[O-])O)O)O.[Na+].[Na+]

InChI

InChI=1S/C6H13O7PS.2Na/c7-3-1-13-6(5(9)4(3)8)15-2-14(10,11)12;;/h3-9H,1-2H2,(H2,10,11,12);;/q;2*+1/p-2/t3-,4-,5+,6-;;/m0../s1