[(2R,3S,4S,5S,6R)-6-(4-isothiocyanatophenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2R,3S,4S,5S,6R)-6-(4-isothiocyanatophenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate Openeye Name: [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)tetrahydropyran-2-yl]methyl dihydrogen phosphate CAS Name: [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)-2-oxanyl]methyl dihydrogen phosphate IUPAC Name: [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)oxan-2-yl]methyl dihydrogen phosphate Traditional Name: [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-isothiocyanatophenoxy)tetrahydropyran-2-yl]methyl dihydrogen phosphate Formula: C13H16NO9PS MolecularWeight: 393.306201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C=S)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1N=C=S)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O

InChI

InChI=1S/C13H16NO9PS/c15-10-9(5-21-24(18,19)20)23-13(12(17)11(10)16)22-8-3-1-7(2-4-8)14-6-25/h1-4,9-13,15-17H,5H2,(H2,18,19,20)/t9-,10-,11+,12+,13+/m1/s1