sodium [2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-octoxy-3,4-bis(oxidanyl)oxan-2-yl]methoxymethyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] sulfate

Systemtic Name: sodium [2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-octoxy-3,4-bis(oxidanyl)oxan-2-yl]methoxymethyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] sulfate Openeye Name: sodium [2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-octoxy-tetrahydropyran-2-yl]methoxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] sulfate CAS Name: sodium [2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-octoxy-2-oxanyl]methoxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] sulfate IUPAC Name: sodium [2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-octoxyoxan-2-yl]methoxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] sulfate Traditional Name: sodium [2-[[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-octoxy-tetrahydropyran-2-yl]methoxymethyl]-3-hydroxy-2-methylol-propyl] sulfate Formula: C21H40NNaO12S MolecularWeight: 553.59657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COCC(CO)(CO)COS(=O)(=O)[O-])O)O)NC(=O)C.[Na+]

Isomeric SMILES

CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC(CO)(CO)COS(=O)(=O)[O-])O)O)NC(=O)C.[Na+]

InChI

InChI=1S/C21H41NO12S.Na/c1-3-4-5-6-7-8-9-32-20-17(22-15(2)25)19(27)18(26)16(34-20)10-31-13-21(11-23,12-24)14-33-35(28,29)30;/h16-20,23-24,26-27H,3-14H2,1-2H3,(H,22,25)(H,28,29,30);/q;+1/p-1/t16-,17-,18-,19-,20+;/m1./s1