6-[1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]phenazine-1-carboxylic acid

Systemtic Name: 6-[1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]phenazine-1-carboxylic acid Openeye Name: 6-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethyl]phenazine-1-carboxylic acid CAS Name: 6-[1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethyl]-1-phenazinecarboxylic acid IUPAC Name: 6-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenazine-1-carboxylic acid Traditional Name: 6-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]phenazine-1-carboxylic acid Formula: C21H22N2O8 MolecularWeight: 430.40798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=NC3=C(C=CC=C3N=C21)C(=O)O)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

CC(C1=CC=CC2=NC3=C(C=CC=C3N=C21)C(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C21H22N2O8/c1-9(30-21-19(27)18(26)17(25)14(8-24)31-21)10-4-2-6-12-15(10)22-13-7-3-5-11(20(28)29)16(13)23-12/h2-7,9,14,17-19,21,24-27H,8H2,1H3,(H,28,29)/t9?,14-,17-,18+,19-,21-/m1/s1