2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-octoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-octoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-octoxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[[(2S,3S,4S,5R,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-octoxy-3-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3,4-dihydroxy-2-oxanyl]methoxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-octoxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4-dihydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-methylol-6-octoxy-tetrahydropyran-3-yl]oxy-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C33H64N2O19P+ MolecularWeight: 823.837021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)COP(=O)(O)OCC[N+](C)(C)C)O)O)NC(=O)C)O)O)O

Isomeric SMILES

CCCCCCCCO[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)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COP(=O)(O)OCC[N+](C)(C)C)O)O)NC(=O)C)O)O)O

InChI

InChI=1S/C33H63N2O19P/c1-6-7-8-9-10-11-13-47-32-27(43)26(42)29(20(16-37)51-32)53-33-28(44)30(24(40)19(15-36)50-33)54-31-22(34-18(2)38)25(41)23(39)21(52-31)17-49-55(45,46)48-14-12-35(3,4)5/h19-33,36-37,39-44H,6-17H2,1-5H3,(H-,34,38,45,46)/p+1/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30+,31+,32-,33+/m1/s1