[(2S,3R,4S,5S)-4,5-bis(oxidanyl)-2-phenylmethoxy-oxan-3-yl] 4-oxidanylidenepentanoate

Systemtic Name: [(2S,3R,4S,5S)-4,5-bis(oxidanyl)-2-phenylmethoxy-oxan-3-yl] 4-oxidanylidenepentanoate Openeye Name: [(2S,3R,4S,5S)-2-benzyloxy-4,5-dihydroxy-tetrahydropyran-3-yl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [(2S,3R,4S,5S)-4,5-dihydroxy-2-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,5S)-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [(2S,3R,4S,5S)-2-benzoxy-4,5-dihydroxy-tetrahydropyran-3-yl] ester Formula: C17H22O7 MolecularWeight: 338.35238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(COC1OCC2=CC=CC=C2)O)O

Isomeric SMILES

CC(=O)CCC(=O)O[C@@H]1[C@H]([C@H](CO[C@@H]1OCC2=CC=CC=C2)O)O

InChI

InChI=1S/C17H22O7/c1-11(18)7-8-14(20)24-16-15(21)13(19)10-23-17(16)22-9-12-5-3-2-4-6-12/h2-6,13,15-17,19,21H,7-10H2,1H3/t13-,15-,16+,17-/m0/s1