(3R)-4-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-4-[3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-methyl-4-oxo-butanoic acid CAS Name: (3R)-4-[2-hydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-methyl-4-oxobutanoic acid IUPAC Name: (3R)-4-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-methyl-4-oxobutanoic acid Traditional Name: (3R)-4-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-4-keto-3-methyl-butyric acid Formula: C17H22O10 MolecularWeight: 386.35058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=C(C(=CC=C1)OC2C(C(C(C(O2)CO)O)O)O)O

Isomeric SMILES

C[C@H](CC(=O)O)C(=O)C1=C(C(=CC=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

InChI

InChI=1S/C17H22O10/c1-7(5-11(19)20)12(21)8-3-2-4-9(13(8)22)26-17-16(25)15(24)14(23)10(6-18)27-17/h2-4,7,10,14-18,22-25H,5-6H2,1H3,(H,19,20)/t7-,10-,14-,15+,16-,17-/m1/s1