[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 8-[2-(6-ethanoylpyridin-2-yl)-2-oxidanylidene-ethoxy]octyl [(2R,3S,4S,5R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl phosphate

Systemtic Name: [(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 8-[2-(6-ethanoylpyridin-2-yl)-2-oxidanylidene-ethoxy]octyl [(2R,3S,4S,5R)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl phosphate Openeye Name: 8-[2-(6-acetyl-2-pyridyl)-2-oxo-ethoxy]octyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl phosphate CAS Name: phosphoric acid 8-[2-(6-acetyl-2-pyridinyl)-2-oxoethoxy]octyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-2-oxanyl]methyl ester IUPAC Name: 8-[2-(6-acetylpyridin-2-yl)-2-oxoethoxy]octyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate Traditional Name: phosphoric acid 8-[2-(6-acetyl-2-pyridyl)-2-keto-ethoxy]octyl [(2S,3S,5R)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl ester Formula: C33H47N6O15P MolecularWeight: 798.731241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OCCCCCCCCOCC(=O)C3=CC=CC(=N3)C(=O)C)OCC4C(C(C(C(O4)O)O)O)O)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCCCCCCCOCC(=O)C3=CC=CC(=N3)C(=O)C)OC[C@@H]4[C@H]([C@@H]([C@H](C(O4)O)O)O)O)N=[N+]=[N-]

InChI

InChI=1S/C33H47N6O15P/c1-19-15-39(33(47)36-31(19)45)27-14-23(37-38-34)25(53-27)17-51-55(48,52-18-26-28(42)29(43)30(44)32(46)54-26)50-13-8-6-4-3-5-7-12-49-16-24(41)22-11-9-10-21(35-22)20(2)40/h9-11,15,23,25-30,32,42-44,46H,3-8,12-14,16-18H2,1-2H3,(H,36,45,47)/t23-,25+,26+,27+,28+,29-,30+,32?,55?/m0/s1