[(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-3-oxidanyl-5-(pent-4-enoylamino)-6-phenethyloxy-oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-3-oxidanyl-5-(pent-4-enoylamino)-6-phenethyloxy-oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3R,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-(pent-4-enoylamino)-6-phenethyloxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-(1-oxopent-4-enylamino)-6-phenethyloxy-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-(pent-4-enoylamino)-6-phenethyloxyoxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4R,5R,6S)-3-hydroxy-2-methylol-5-(pent-4-enoylamino)-6-phenethyloxy-tetrahydropyran-4-yl] ester Formula: C19H27NO9S MolecularWeight: 445.48398

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)NC1C(C(C(OC1OCCC2=CC=CC=C2)CO)O)OS(=O)(=O)O

Isomeric SMILES

C=CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCCC2=CC=CC=C2)CO)O)OS(=O)(=O)O

InChI

InChI=1S/C19H27NO9S/c1-2-3-9-15(22)20-16-18(29-30(24,25)26)17(23)14(12-21)28-19(16)27-11-10-13-7-5-4-6-8-13/h2,4-8,14,16-19,21,23H,1,3,9-12H2,(H,20,22)(H,24,25,26)/t14-,16-,17-,18-,19+/m1/s1