2-[(2S,3R,4S)-5-methoxy-4-oxidanyl-3-(phenylmethoxymethyl)oxan-2-yl]ethanoic acid

Systemtic Name: 2-[(2S,3R,4S)-5-methoxy-4-oxidanyl-3-(phenylmethoxymethyl)oxan-2-yl]ethanoic acid Openeye Name: 2-[(2S,3R,4S)-3-(benzyloxymethyl)-4-hydroxy-5-methoxy-tetrahydropyran-2-yl]acetic acid CAS Name: 2-[(2S,3R,4S)-4-hydroxy-5-methoxy-3-(phenylmethoxymethyl)-2-oxanyl]acetic acid IUPAC Name: 2-[(2S,3R,4S)-4-hydroxy-5-methoxy-3-(phenylmethoxymethyl)oxan-2-yl]acetic acid Traditional Name: 2-[(2S,3R,4S)-3-(benzoxymethyl)-4-hydroxy-5-methoxy-tetrahydropyran-2-yl]acetic acid Formula: C16H22O6 MolecularWeight: 310.34228

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Descriptors Computed from Structure

Canonical SMILES:

COC1COC(C(C1O)COCC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

COC1CO[C@H]([C@@H]([C@@H]1O)COCC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C16H22O6/c1-20-14-10-22-13(7-15(17)18)12(16(14)19)9-21-8-11-5-3-2-4-6-11/h2-6,12-14,16,19H,7-10H2,1H3,(H,17,18)/t12-,13-,14?,16-/m0/s1