O1,O2-ditert-butyl O3-(phenylmethyl) (3S,6S)-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,6-dihydropyridazine-1,2,3-tricarboxylate

Systemtic Name: O1,O2-ditert-butyl O3-(phenylmethyl) (3S,6S)-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,6-dihydropyridazine-1,2,3-tricarboxylate Openeye Name: O3-benzyl O1,O2-ditert-butyl (3S,6S)-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-3,6-dihydropyridazine-1,2,3-tricarboxylate CAS Name: (3S,6S)-6-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-3,6-dihydropyridazine-1,2,3-tricarboxylic acid O1,O2-ditert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O,2-O-ditert-butyl (3S,6S)-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,6-dihydropyridazine-1,2,3-tricarboxylate Traditional Name: (3S,6S)-6-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-3,6-dihydropyridazine-1,2,3-tricarboxylic acid O3-benzyl ester O1,O2-ditert-butyl ester Formula: C36H48N2O16 MolecularWeight: 764.77012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N(N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C=C[C@H](N(N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C36H48N2O16/c1-20(39)46-19-26-28(48-21(2)40)29(49-22(3)41)30(50-23(4)42)32(51-26)52-27-17-16-25(31(43)47-18-24-14-12-11-13-15-24)37(33(44)53-35(5,6)7)38(27)34(45)54-36(8,9)10/h11-17,25-30,32H,18-19H2,1-10H3/t25-,26+,27-,28+,29-,30+,32-/m0/s1