[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-[2-(4-methylphenyl)sulfonylsulfanylethanoylamino]-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-[2-(4-methylphenyl)sulfonylsulfanylethanoylamino]-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate Openeye Name: [(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-(p-tolylsulfonylsulfanyl)acetyl]amino]tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate CAS Name: [(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[(4-methylphenyl)sulfonylthio]-1-oxoethyl]amino]-2-oxanyl] [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate IUPAC Name: [(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-(4-methylphenyl)sulfonylsulfanylacetyl]amino]oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate Traditional Name: [(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methylol-3-[[2-(tosylthio)acetyl]amino]tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate Formula: C24H33N3O19P2S2 MolecularWeight: 793.605042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SCC(=O)NC2C(C(C(OC2OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)CO)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SCC(=O)N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)CO)O)O

InChI

InChI=1S/C24H33N3O19P2S2/c1-11-2-4-12(5-3-11)50(40,41)49-10-16(30)25-17-20(33)18(31)13(8-28)44-23(17)45-48(38,39)46-47(36,37)42-9-14-19(32)21(34)22(43-14)27-7-6-15(29)26-24(27)35/h2-7,13-14,17-23,28,31-34H,8-10H2,1H3,(H,25,30)(H,36,37)(H,38,39)(H,26,29,35)/t13-,14-,17-,18+,19-,20-,21-,22-,23-/m1/s1