1-[(2R,3R,4S,5S)-5-[[(2R,3S)-4-[(3R,4S,5R)-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-1-yl]-2,3-bis(oxidanyl)butyl]sulfanylmethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,3R,4S,5S)-5-[[(2R,3S)-4-[(3R,4S,5R)-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-1-yl]-2,3-bis(oxidanyl)butyl]sulfanylmethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 1-[(2R,3R,4S,5S)-5-[[(2R,3S)-4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-piperidyl]-2,3-dihydroxy-butyl]sulfanylmethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione CAS Name: 1-[(2R,3R,4S,5S)-5-[[[(2R,3S)-4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-piperidinyl]-2,3-dihydroxybutyl]thio]methyl]-3,4-dihydroxy-2-oxolanyl]pyrimidine-2,4-dione IUPAC Name: 1-[(2R,3R,4S,5S)-5-[[(2R,3S)-4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-1-yl]-2,3-dihydroxybutyl]sulfanylmethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione Traditional Name: 1-[(2R,3R,4S,5S)-5-[[[(2R,3S)-4-[(3R,4S,5R)-3,4-dihydroxy-5-methylol-piperidino]-2,3-dihydroxy-butyl]thio]methyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone Formula: C19H31N3O10S MolecularWeight: 493.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1CC(C(CSCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O)O)CO

Isomeric SMILES

C1[C@@H]([C@@H]([C@@H](CN1C[C@@H]([C@H](CSC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O)O)CO

InChI

InChI=1S/C19H31N3O10S/c23-6-9-3-21(5-11(25)15(9)28)4-10(24)12(26)7-33-8-13-16(29)17(30)18(32-13)22-2-1-14(27)20-19(22)31/h1-2,9-13,15-18,23-26,28-30H,3-8H2,(H,20,27,31)/t9-,10+,11-,12+,13-,15+,16-,17-,18-/m1/s1