[(2S)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propyl] pentanoate

Systemtic Name: [(2S)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propyl] pentanoate Openeye Name: [(2S)-3-hydroxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl] pentanoate CAS Name: pentanoic acid [(2S)-3-hydroxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl] ester IUPAC Name: [(2S)-3-hydroxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] pentanoate Traditional Name: valeric acid [(2S)-3-hydroxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propyl] ester Formula: C14H26O9 MolecularWeight: 338.35084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(CO)OC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H26O9/c1-2-3-4-10(17)21-7-8(5-15)22-14-13(20)12(19)11(18)9(6-16)23-14/h8-9,11-16,18-20H,2-7H2,1H3/t8-,9+,11-,12-,13+,14+/m0/s1