methyl (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-3,4-diacetyloxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-acetyloxy-6-[(1S,2R)-1,2-diacetyloxy-3-bis(phenylmethoxy)phosphoryloxy-propyl]oxane-2-carboxylate

Systemtic Name: methyl (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-3,4-diacetyloxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-acetyloxy-6-[(1S,2R)-1,2-diacetyloxy-3-bis(phenylmethoxy)phosphoryloxy-propyl]oxane-2-carboxylate Openeye Name: methyl (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxo-pyrimidin-1-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-acetoxy-6-[(1S,2R)-1,2-diacetoxy-3-dibenzyloxyphosphoryloxy-propyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxo-1-pyrimidinyl)-3,4-diacetyloxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-acetyloxy-6-[(1S,2R)-1,2-diacetyloxy-3-bis(phenylmethoxy)phosphoryloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-diacetyloxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-acetyloxy-6-[(1S,2R)-1,2-diacetyloxy-3-bis(phenylmethoxy)phosphoryloxypropyl]oxane-2-carboxylate Traditional Name: (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-keto-pyrimidin-1-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-acetoxy-6-[(1S,2R)-1,2-diacetoxy-3-dibenzoxyphosphoryloxy-propyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C47H58N4O25P2 MolecularWeight: 1140.922742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)(C(=O)OC)OP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C)(C(=O)OC)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C47H58N4O25P2/c1-26(52)48-38-19-20-51(46(60)50-38)44-43(73-32(7)58)41(72-31(6)57)37(74-44)24-65-77(61,62)76-47(45(59)64-8)21-35(69-28(3)54)39(49-27(2)53)42(75-47)40(71-30(5)56)36(70-29(4)55)25-68-78(63,66-22-33-15-11-9-12-16-33)67-23-34-17-13-10-14-18-34/h9-20,35-37,39-44H,21-25H2,1-8H3,(H,49,53)(H,61,62)(H,48,50,52,60)/t35-,36+,37+,39+,40+,41+,42+,43+,44+,47+/m0/s1