[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylmethylphosphonic acid; 2,6-dimethylpyridine

Systemtic Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylmethylphosphonic acid; 2,6-dimethylpyridine Openeye Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanylmethylphosphonic acid; 2,6-dimethylpyridine CAS Name: [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]thio]methylphosphonic acid; 2,6-dimethylpyridine IUPAC Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylmethylphosphonic acid; 2,6-dimethylpyridine Traditional Name: [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]thio]methylphosphonic acid; 2,6-lutidine Formula: C29H42N3O11PS MolecularWeight: 671.696041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C.CC1=NC(=CC=C1)C.CC(=O)NC1C(C(C(OC1SCP(=O)(O)O)COC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=NC(=CC=C1)C.CC1=NC(=CC=C1)C.CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SCP(=O)(O)O)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C15H24NO11PS.2C7H9N/c1-7(17)16-12-14(26-10(4)20)13(25-9(3)19)11(5-24-8(2)18)27-15(12)29-6-28(21,22)23;2*1-6-4-3-5-7(2)8-6/h11-15H,5-6H2,1-4H3,(H,16,17)(H2,21,22,23);2*3-5H,1-2H3/t11-,12-,13-,14-,15+;;/m1../s1