methyl 2-ethanoyl-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-ethanoyl-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-oxan-2-yl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-acetyl-2-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-3-oxo-butanoate CAS Name: 2-acetyl-2-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxanyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-acetyl-2-[(2R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]-3-oxobutanoate Traditional Name: 2-acetyl-2-[(2R,5S,6R)-5-hydroxy-6-methylol-tetrahydropyran-2-yl]-3-keto-butyric acid methyl ester Formula: C13H20O7 MolecularWeight: 288.2937

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1CCC(C(O1)CO)O)(C(=O)C)C(=O)OC

Isomeric SMILES

CC(=O)C([C@H]1CC[C@@H]([C@H](O1)CO)O)(C(=O)C)C(=O)OC

InChI

InChI=1S/C13H20O7/c1-7(15)13(8(2)16,12(18)19-3)11-5-4-9(17)10(6-14)20-11/h9-11,14,17H,4-6H2,1-3H3/t9-,10+,11+/m0/s1