1-[(3aR,4R,6R,6aS)-2-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2-[(dibutylamino)methyl]phenyl]-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[(3aR,4R,6R,6aS)-2-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2-[(dibutylamino)methyl]phenyl]-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]pyrimidine-2,4-dione Openeye Name: 1-[(3aR,4R,6R,6aS)-2-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2-[(dibutylamino)methyl]phenyl]-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]pyrimidine-2,4-dione CAS Name: 1-[(3aR,4R,6R,6aS)-2-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-[(dibutylamino)methyl]phenyl]-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]pyrimidine-2,4-dione IUPAC Name: 1-[(3aR,4R,6R,6aS)-2-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-2-[(dibutylamino)methyl]phenyl]-6-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]pyrimidine-2,4-dione Traditional Name: 1-[(3aR,4R,6R,6aS)-2-[5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2-[(dibutylamino)methyl]phenyl]-6-methylol-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-4-yl]pyrimidine-2,4-quinone Formula: C46H54BN3O9 MolecularWeight: 803.74666

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CO)C4=C(C=CC(=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)CN(CCCC)CCCC

Isomeric SMILES

B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)NC3=O)CO)C4=C(C=CC(=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)CN(CCCC)CCCC

InChI

InChI=1S/C46H54BN3O9/c1-5-7-25-49(26-8-6-2)29-33-15-14-32(28-39(33)47-58-42-40(30-51)57-44(43(42)59-47)50-27-24-41(52)48-45(50)53)31-56-46(34-12-10-9-11-13-34,35-16-20-37(54-3)21-17-35)36-18-22-38(55-4)23-19-36/h9-24,27-28,40,42-44,51H,5-8,25-26,29-31H2,1-4H3,(H,48,52,53)/t40-,42-,43-,44-/m1/s1