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sodium (2R,4R,5S)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-octadecanoyloxy-octadec-4-enoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate

Systemtic Name:	sodium (2R,4R,5S)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-octadecanoyloxy-octadec-4-enoxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate
Openeye Name:	sodium (2R,4R,5S)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-octadecanoyloxy-octadec-4-enoxy]tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
CAS Name:	sodium (2R,4R,5S)-5-acetamido-2-[[(2S,3R,4S,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[[(2R,3R,4R,5R,6S)-6-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-3-(1-oxooctadecoxy)-2-(1-oxooctadecylamino)octadec-4-enoxy]-3-oxanyl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate
IUPAC Name:	sodium (2R,4R,5S)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E)-2-(octadecanoylamino)-3-octadecanoyloxyoctadec-4-enoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Traditional Name:	sodium (2R,4R,5S)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-methylol-6-[(E)-2-stearamido-3-stearoyloxy-octadec-4-enoxy]tetrahydropyran-3-yl]oxy-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methylol-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate
Formula:	C₉₁H₁₆₄N₃NaO₃₂
MolecularWeight:	1835.26653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)NC(=O)C)O)O)O)O)C(C=CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@]5(C[C@H]([C@@H](C(O5)[C@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)NC(=O)C)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C91H165N3O32.Na/c1-6-9-12-15-18-21-24-27-29-32-35-38-41-44-47-50-69(104)94-61(64(49-46-43-40-37-34-31-26-23-20-17-14-11-8-3)117-70(105)51-48-45-42-39-36-33-30-28-25-22-19-16-13-10-7-2)58-116-87-78(111)76(109)83(67(56-98)120-87)124-88-79(112)77(110)82(68(57-99)121-88)122-86-72(93-60(5)101)75(108)81(66(55-97)119-86)123-89-80(113)85(74(107)65(54-96)118-89)126-91(90(114)115)52-62(102)71(92-59(4)100)84(125-91)73(106)63(103)53-95;/h46,49,61-68,71-89,95-99,102-103,106-113H,6-45,47-48,50-58H2,1-5H3,(H,92,100)(H,93,101)(H,94,104)(H,114,115);/q;+1/p-1/b49-46+;/t61?,62-,63-,64?,65-,66-,67-,68-,71+,72-,73+,74+,75-,76-,77-,78-,79-,80-,81+,82+,83-,84?,85+,86+,87-,88+,89+,91-;/m1./s1

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