methyl (2R,4S,5R,6R)-5-acetamido-2-[2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-3,4-diacetyloxy-oxolan-2-yl]methoxy-methoxy-phosphoryl]ethyl]-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: methyl (2R,4S,5R,6R)-5-acetamido-2-[2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-3,4-diacetyloxy-oxolan-2-yl]methoxy-methoxy-phosphoryl]ethyl]-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: methyl (2R,4S,5R,6R)-5-acetamido-2-[2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxo-pyrimidin-1-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]ethyl]-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4S,5R,6R)-5-acetamido-2-[2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxo-1-pyrimidinyl)-3,4-diacetyloxy-2-oxolanyl]methoxy-methoxyphosphoryl]ethyl]-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S,5R,6R)-5-acetamido-2-[2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1-yl)-3,4-diacetyloxyoxolan-2-yl]methoxy-methoxyphosphoryl]ethyl]-4-acetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2R,4S,5R,6R)-5-acetamido-2-[2-[[(2R,3R,4R,5R)-5-(4-acetamido-2-keto-pyrimidin-1-yl)-3,4-diacetoxy-tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]ethyl]-4-acetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid methyl ester Formula: C38H53N4O22P MolecularWeight: 948.814781

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(CCP(=O)(OC)OCC2C(C(C(O2)N3C=CC(=NC3=O)NC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(CCP(=O)(OC)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)NC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C

InChI

InChI=1S/C38H53N4O22P/c1-18(43)39-29-11-13-42(37(52)41-29)35-34(62-25(8)50)32(61-24(7)49)28(63-35)17-57-65(53,55-10)14-12-38(36(51)54-9)15-26(58-21(4)46)30(40-19(2)44)33(64-38)31(60-23(6)48)27(59-22(5)47)16-56-20(3)45/h11,13,26-28,30-35H,12,14-17H2,1-10H3,(H,40,44)(H,39,41,43,52)/t26-,27+,28+,30+,31+,32+,33+,34+,35+,38-,65?/m0/s1