(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[[4-(methoxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-[[4-(methoxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[5-hydroxy-4-(methoxymethyl)-6-methyl-3-pyridyl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[5-hydroxy-4-(methoxymethyl)-6-methyl-3-pyridinyl]methoxy]-6-(hydroxymethyl)-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methoxy]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[5-hydroxy-4-(methoxymethyl)-6-methyl-3-pyridyl]methoxy]-6-methylol-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C21H31NO14 MolecularWeight: 521.46914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)COC)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)COC)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O

InChI

InChI=1S/C21H31NO14/c1-7-11(24)9(6-32-2)8(3-22-7)5-33-21-18(14(27)12(25)10(4-23)34-21)36-20-16(29)13(26)15(28)17(35-20)19(30)31/h3,10,12-18,20-21,23-29H,4-6H2,1-2H3,(H,30,31)/t10-,12-,13+,14+,15+,16-,17+,18-,20+,21-/m1/s1