sodium [6-azanyloxy-2-(hydroxymethyl)-5-oxidanyl-4-(9-phenylnonanoyloxy)-6-tetradecanoyl-oxan-3-yl] sulfate

Systemtic Name: sodium [6-azanyloxy-2-(hydroxymethyl)-5-oxidanyl-4-(9-phenylnonanoyloxy)-6-tetradecanoyl-oxan-3-yl] sulfate Openeye Name: sodium [6-aminooxy-5-hydroxy-2-(hydroxymethyl)-4-(9-phenylnonanoyloxy)-6-tetradecanoyl-tetrahydropyran-3-yl] sulfate CAS Name: sodium [6-aminooxy-5-hydroxy-2-(hydroxymethyl)-4-(1-oxo-9-phenylnonoxy)-6-(1-oxotetradecyl)-3-oxanyl] sulfate IUPAC Name: sodium [6-aminooxy-5-hydroxy-2-(hydroxymethyl)-4-(9-phenylnonanoyloxy)-6-tetradecanoyloxan-3-yl] sulfate Traditional Name: sodium [6-aminooxy-5-hydroxy-2-methylol-4-(9-phenylnonanoyloxy)-6-tetradecanoyl-tetrahydropyran-3-yl] sulfate Formula: C35H58NNaO11S MolecularWeight: 723.88989

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO)OS(=O)(=O)[O-])OC(=O)CCCCCCCCC2=CC=CC=C2)O)ON.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C1(C(C(C(C(O1)CO)OS(=O)(=O)[O-])OC(=O)CCCCCCCCC2=CC=CC=C2)O)ON.[Na+]

InChI

InChI=1S/C35H59NO11S.Na/c1-2-3-4-5-6-7-8-9-10-14-20-25-30(38)35(47-36)34(40)33(32(29(27-37)45-35)46-48(41,42)43)44-31(39)26-21-15-12-11-13-17-22-28-23-18-16-19-24-28;/h16,18-19,23-24,29,32-34,37,40H,2-15,17,20-22,25-27,36H2,1H3,(H,41,42,43);/q;+1/p-1