2-[[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]amino]benzoate

Systemtic Name: 2-[[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]amino]benzoate Openeye Name: 2-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]benzoate CAS Name: 2-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]amino]benzoate IUPAC Name: 2-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]benzoate Traditional Name: 2-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methylol-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]benzoate Formula: C19H26NO12- MolecularWeight: 460.40924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

InChI

InChI=1S/C19H27NO12/c21-5-9-11(23)12(24)15(27)19(31-9)32-16-10(6-22)30-17(14(26)13(16)25)20-8-4-2-1-3-7(8)18(28)29/h1-4,9-17,19-27H,5-6H2,(H,28,29)/p-1/t9-,10-,11-,12+,13-,14-,15+,16+,17-,19+/m1/s1