N-[2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-nitro-phenyl]hexadecanamide

Systemtic Name: N-[2-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-nitro-phenyl]hexadecanamide Openeye Name: N-[5-nitro-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]hexadecanamide CAS Name: N-[5-nitro-2-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]hexadecanamide IUPAC Name: N-[5-nitro-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hexadecanamide Traditional Name: N-[5-nitro-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]palmitamide Formula: C28H46N2O9 MolecularWeight: 554.67284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C28H46N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)29-21-18-20(30(36)37)16-17-22(21)38-28-27(35)26(34)25(33)23(19-31)39-28/h16-18,23,25-28,31,33-35H,2-15,19H2,1H3,(H,29,32)/t23-,25+,26+,27-,28-/m1/s1