[(1R,2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3,4-tris(oxidanyl)-6-phosphonooxy-cyclohexyl] hexadecanoate

Systemtic Name: [(1R,2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3,4-tris(oxidanyl)-6-phosphonooxy-cyclohexyl] hexadecanoate Openeye Name: [(1R,2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,4-trihydroxy-6-phosphonooxy-cyclohexyl] hexadecanoate CAS Name: hexadecanoic acid [(1R,2S,3R,4R,5S,6R)-5-[[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3,4-trihydroxy-6-phosphonooxycyclohexyl] ester IUPAC Name: [(1R,2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4-trihydroxy-6-phosphonooxycyclohexyl] hexadecanoate Traditional Name: palmitic acid [(1R,2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2,3,4-trihydroxy-6-phosphonooxy-cyclohexyl] ester Formula: C28H54NO14P MolecularWeight: 659.700421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(C1OP(=O)(O)O)OC2C(C(C(C(O2)CO)O)O)N)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)O

InChI

InChI=1S/C28H54NO14P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(31)41-25-23(35)22(34)24(36)26(27(25)43-44(37,38)39)42-28-19(29)21(33)20(32)17(16-30)40-28/h17,19-28,30,32-36H,2-16,29H2,1H3,(H2,37,38,39)/t17-,19-,20-,21-,22+,23+,24-,25-,26+,27+,28-/m1/s1