6-(hydroxymethyl)-3-[3-(icosylamino)-2-oxidanyl-propoxy]-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 6-(hydroxymethyl)-3-[3-(icosylamino)-2-oxidanyl-propoxy]-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 4,5-dihydroxy-3-[2-hydroxy-3-(icosylamino)propoxy]-6-(hydroxymethyl)tetrahydropyran-2-olate CAS Name: 3-[3-(eicosylamino)-2-hydroxypropoxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanolate IUPAC Name: 4,5-dihydroxy-3-[2-hydroxy-3-(icosylamino)propoxy]-6-(hydroxymethyl)oxan-2-olate Traditional Name: 3-[3-(arachylamino)-2-hydroxy-propoxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-2-olate Formula: C29H58NO7- MolecularWeight: 532.77332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCNCC(COC1C(C(C(OC1[O-])CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCNCC(COC1C(C(C(OC1[O-])CO)O)O)O

InChI

InChI=1S/C29H58NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-21-24(32)23-36-28-27(34)26(33)25(22-31)37-29(28)35/h24-34H,2-23H2,1H3/q-1