[(3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl] 2-[bis[[(2S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryloxy]benzoate

Systemtic Name: [(3R,4S,5R,6R)-3,4,5-tris(phenylcarbonyloxy)-6-(phenylcarbonyloxymethyl)oxan-2-yl] 2-[bis[[(2S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryloxy]benzoate Openeye Name: [(3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl] 2-[bis[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryloxy]benzoate CAS Name: 2-[bis[[(2S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryloxy]benzoic acid [(3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-2-oxanyl] ester IUPAC Name: [(3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)oxan-2-yl] 2-[bis[[(2S,5R)-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryloxy]benzoate Traditional Name: 2-[bis[[(2S,5R)-5-(2,4-diketopyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryloxy]benzoic acid [(3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)tetrahydropyran-2-yl] ester Formula: C59H53N4O21P MolecularWeight: 1185.040081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COP(=O)(OCC2CCC(O2)N3C=CC(=O)NC3=O)OC4=CC=CC=C4C(=O)OC5C(C(C(C(O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)N1C=CC(=O)NC1=O

Isomeric SMILES

C1C[C@@H](O[C@@H]1COP(=O)(OC[C@@H]2CC[C@@H](O2)N3C=CC(=O)NC3=O)OC4=CC=CC=C4C(=O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)N1C=CC(=O)NC1=O

InChI

InChI=1S/C59H53N4O21P/c64-45-29-31-62(58(71)60-45)47-27-25-40(77-47)33-75-85(73,76-34-41-26-28-48(78-41)63-32-30-46(65)61-59(63)72)84-43-24-14-13-23-42(43)56(70)83-57-51(82-55(69)39-21-11-4-12-22-39)50(81-54(68)38-19-9-3-10-20-38)49(80-53(67)37-17-7-2-8-18-37)44(79-57)35-74-52(66)36-15-5-1-6-16-36/h1-24,29-32,40-41,44,47-51,57H,25-28,33-35H2,(H,60,64,71)(H,61,65,72)/t40-,41-,44+,47+,48+,49+,50-,51+,57?/m0/s1