2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; octadecanoate

Systemtic Name: 2-(hydroxymethyl)-6-methoxy-oxane-3,4,5-triol; octadecanoate Openeye Name: 2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol; octadecanoate CAS Name: 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; octadecanoate IUPAC Name: 2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol; octadecanoate Traditional Name: 2-methoxy-6-methylol-tetrahydropyran-3,4,5-triol; stearate Formula: C68H133O18-3 MolecularWeight: 1238.77282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].COC1C(C(C(C(O1)CO)O)O)O.COC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].COC1C(C(C(C(O1)CO)O)O)O.COC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/3C18H36O2.2C7H14O6/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3*2-17H2,1H3,(H,19,20);2*3-11H,2H2,1H3/p-3