(3R,4S,5S,6R)-6-(hydroxymethyl)-4-isothiocyanato-oxane-2,3,5-triol

Systemtic Name: (3R,4S,5S,6R)-6-(hydroxymethyl)-4-isothiocyanato-oxane-2,3,5-triol Openeye Name: (3R,4S,5S,6R)-6-(hydroxymethyl)-4-isothiocyanato-tetrahydropyran-2,3,5-triol CAS Name: (3R,4S,5S,6R)-6-(hydroxymethyl)-4-isothiocyanatooxane-2,3,5-triol IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)-4-isothiocyanatooxane-2,3,5-triol Traditional Name: (3R,4S,5S,6R)-4-isothiocyanato-6-methylol-tetrahydropyran-2,3,5-triol Formula: C7H11NO5S MolecularWeight: 221.23094

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)O)O)N=C=S)O)O

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)N=C=S)O)O

InChI

InChI=1S/C7H11NO5S/c9-1-3-5(10)4(8-2-14)6(11)7(12)13-3/h3-7,9-12H,1H2/t3-,4+,5-,6-,7?/m1/s1