(phenylmethyl) (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-4,5-diacetyloxy-6-[(1R,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Systemtic Name: (phenylmethyl) (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-4,5-diacetyloxy-6-[(1R,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Openeye Name: benzyl (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-4,5-diacetoxy-6-[(1R,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylate CAS Name: (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-(2,4-dioxo-1-pyrimidinyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-4,5-diacetyloxy-6-[(1R,2R)-1,2,3-triacetyloxypropyl]-2-oxanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-4,5-diacetyloxy-6-[(1R,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate Traditional Name: (2R,4S,5R,6R)-2-[[(3aR,4R,6R,6aR)-4-(2,4-diketopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-4,5-diacetoxy-6-[(1R,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carboxylic acid benzyl ester Formula: C38H46N2O19 MolecularWeight: 834.77384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(C1C(C(CC(O1)(C(=O)OCC2=CC=CC=C2)OCC3C4C(C(O3)N5C=CC(=O)NC5=O)OC(O4)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)OCC2=CC=CC=C2)OC[C@@H]3[C@@H]4[C@H]([C@@H](O3)N5C=CC(=O)NC5=O)OC(O4)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C38H46N2O19/c1-19(41)49-17-26(53-21(3)43)30(55-23(5)45)32-29(54-22(4)44)25(52-20(2)42)15-38(59-32,35(47)50-16-24-11-9-8-10-12-24)51-18-27-31-33(58-37(6,7)57-31)34(56-27)40-14-13-28(46)39-36(40)48/h8-14,25-27,29-34H,15-18H2,1-7H3,(H,39,46,48)/t25-,26+,27+,29+,30+,31+,32+,33+,34+,38+/m0/s1