hexadecanoate; (2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: hexadecanoate; (2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: hexadecanoate; (2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(1-oxohexadecoxymethyl)-2-oxanyl]oxy]-2-oxanolate; hexadecanoate IUPAC Name: hexadecanoate; (2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate Traditional Name: (2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-olate; palmitate Formula: C44H82O14-2 MolecularWeight: 835.11348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(OC2[O-])CO)O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2[O-])CO)O)O)O)O)O

InChI

InChI=1S/C28H51O12.C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(30)37-17-19-22(32)23(33)25(35)28(39-19)40-26-24(34)21(31)18(16-29)38-27(26)36;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h18-19,21-29,31-35H,2-17H2,1H3;2-15H2,1H3,(H,17,18)/q-1;/p-1/t18-,19-,21-,22-,23+,24+,25-,26-,27+,28-;/m1./s1