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

Systemtic Name: [(2S)-3-[(2R,3S,4S,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-tetradecanoyloxy-propyl] hexadecanoate Openeye Name: [(2S)-2-tetradecanoyloxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [(2S)-2-(1-oxotetradecoxy)-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl] ester IUPAC Name: [(2S)-2-tetradecanoyloxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate Traditional Name: palmitic acid [(2S)-2-tetradecanoyloxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-propyl] ester Formula: C39H74O10 MolecularWeight: 702.99886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C39H74O10/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-34(41)46-30-32(31-47-39-38(45)37(44)36(43)33(29-40)49-39)48-35(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h32-33,36-40,43-45H,3-31H2,1-2H3/t32-,33+,36+,37+,38+,39-/m1/s1