[(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-3-hexadecanoyloxy-2,5-bis(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] hexadecanoate

Systemtic Name: [(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-3-hexadecanoyloxy-2,5-bis(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl] hexadecanoate Openeye Name: [(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-3-hexadecanoyloxy-4-hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] hexadecanoate CAS Name: hexadecanoic acid [(2R,3R,4S,5S,6R)-4,5-dihydroxy-2-[[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-(1-oxohexadecoxy)-2-oxolanyl]oxy]-6-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-3-hexadecanoyloxy-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] hexadecanoate Traditional Name: palmitic acid [(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-3-hexadecanoyloxy-4-hydroxy-2,5-dimethylol-tetrahydrofuran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl] ester Formula: C44H82O13 MolecularWeight: 819.11408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2(C(C(C(O2)CO)O)OC(=O)CCCCCCCCCCCCCCC)CO)CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)OC(=O)CCCCCCCCCCCCCCC)CO)CO)O)O

InChI

InChI=1S/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(48)54-41-40(52)38(50)34(31-45)53-43(41)57-44(33-47)42(39(51)35(32-46)56-44)55-37(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-43,45-47,50-52H,3-33H2,1-2H3/t34-,35-,38-,39-,40+,41-,42+,43-,44+/m1/s1