[2-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-3,4-bis(oxidanyl)-5-(pentanoylamino)oxan-2-yl]methoxymethyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] hydrogen sulfate

Systemtic Name: [2-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-3,4-bis(oxidanyl)-5-(pentanoylamino)oxan-2-yl]methoxymethyl]-2-(hydroxymethyl)-3-oxidanyl-propyl] hydrogen sulfate Openeye Name: [2-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-3,4-dihydroxy-5-(pentanoylamino)tetrahydropyran-2-yl]methoxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen sulfate CAS Name: sulfuric acid [2-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-3,4-dihydroxy-5-(1-oxopentylamino)-2-oxanyl]methoxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] ester IUPAC Name: [2-[[(2R,3S,4R,5R,6S)-6-hexadecoxy-3,4-dihydroxy-5-(pentanoylamino)oxan-2-yl]methoxymethyl]-3-hydroxy-2-(hydroxymethyl)propyl] hydrogen sulfate Traditional Name: sulfuric acid [2-[[(2R,3S,4R,5R,6S)-6-cetyloxy-3,4-dihydroxy-5-(valerylamino)tetrahydropyran-2-yl]methoxymethyl]-3-hydroxy-2-methylol-propyl] ester Formula: C32H63NO12S MolecularWeight: 685.90712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1C(C(C(C(O1)COCC(CO)(CO)COS(=O)(=O)O)O)O)NC(=O)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC(CO)(CO)COS(=O)(=O)O)O)O)NC(=O)CCCC

InChI

InChI=1S/C32H63NO12S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-43-31-28(33-27(36)19-6-4-2)30(38)29(37)26(45-31)21-42-24-32(22-34,23-35)25-44-46(39,40)41/h26,28-31,34-35,37-38H,3-25H2,1-2H3,(H,33,36)(H,39,40,41)/t26-,28-,29-,30-,31+/m1/s1