2-[[(2R,3S,4R,5R,6S)-5-azanyl-6-[(2R,3S,4R,5R,6S)-5-azanyl-6-[(2R,3S,4R,5R,6R)-5-(hexadecanoylamino)-2-(2-hydroxyethyloxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-2-(2-hydroxyethyloxymethyl)-4-oxidanyl-oxan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]ethyl hexadecanoate

Systemtic Name: 2-[[(2R,3S,4R,5R,6S)-5-azanyl-6-[(2R,3S,4R,5R,6S)-5-azanyl-6-[(2R,3S,4R,5R,6R)-5-(hexadecanoylamino)-2-(2-hydroxyethyloxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-2-(2-hydroxyethyloxymethyl)-4-oxidanyl-oxan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]ethyl hexadecanoate Openeye Name: 2-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-(hexadecanoylamino)-4,6-dihydroxy-2-(2-hydroxyethoxymethyl)tetrahydropyran-3-yl]oxy-4-hydroxy-2-(2-hydroxyethoxymethyl)tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]ethyl hexadecanoate CAS Name: hexadecanoic acid 2-[[(2R,3S,4R,5R,6S)-5-amino-6-[[(2R,3S,4R,5R,6S)-5-amino-6-[[(2R,3S,4R,5R,6R)-4,6-dihydroxy-2-(2-hydroxyethoxymethyl)-5-(1-oxohexadecylamino)-3-oxanyl]oxy]-4-hydroxy-2-(2-hydroxyethoxymethyl)-3-oxanyl]oxy]-3,4-dihydroxy-2-oxanyl]methoxy]ethyl ester IUPAC Name: 2-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-(hexadecanoylamino)-4,6-dihydroxy-2-(2-hydroxyethoxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(2-hydroxyethoxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy]ethyl hexadecanoate Traditional Name: palmitic acid 2-[[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-4,6-dihydroxy-2-(2-hydroxyethoxymethyl)-5-palmitamido-tetrahydropyran-3-yl]oxy-4-hydroxy-2-(2-hydroxyethoxymethyl)tetrahydropyran-3-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy]ethyl ester Formula: C56H107N3O18 MolecularWeight: 1110.45808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1C(C(C(OC1O)COCCO)OC2C(C(C(C(O2)COCCO)OC3C(C(C(C(O3)COCCOC(=O)CCCCCCCCCCCCCCC)O)O)N)O)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COCCO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCCO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCCOC(=O)CCCCCCCCCCCCCCC)O)O)N)O)N)O

InChI

InChI=1S/C56H107N3O18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-43(62)59-47-51(67)53(41(73-54(47)68)38-69-33-31-60)77-56-46(58)50(66)52(42(75-56)39-70-34-32-61)76-55-45(57)49(65)48(64)40(74-55)37-71-35-36-72-44(63)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-42,45-56,60-61,64-68H,3-39,57-58H2,1-2H3,(H,59,62)/t40-,41-,42-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55+,56+/m1/s1