disodium [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-3-sulfonatooxy-oxan-4-yl] sulfate

Systemtic Name: disodium [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-3-sulfonatooxy-oxan-4-yl] sulfate Openeye Name: disodium [(2R,3R,4R,5S,6S)-5-benzyloxy-2-methoxy-6-methyl-3-sulfonatooxy-tetrahydropyran-4-yl] sulfate CAS Name: disodium [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-3-sulfonatooxy-4-oxanyl] sulfate IUPAC Name: disodium [(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-5-phenylmethoxy-3-sulfonatooxyoxan-4-yl] sulfate Traditional Name: disodium [(2R,3R,4R,5S,6S)-5-benzoxy-2-methoxy-6-methyl-3-sulfato-tetrahydropyran-4-yl] sulfate Formula: C14H18Na2O11S2 MolecularWeight: 472.39566

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OCC2=CC=CC=C2.[Na+].[Na+]

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OCC2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C14H20O11S2.2Na/c1-9-11(22-8-10-6-4-3-5-7-10)12(24-26(15,16)17)13(14(21-2)23-9)25-27(18,19)20;;/h3-7,9,11-14H,8H2,1-2H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2/t9-,11-,12+,13+,14+;;/m0../s1