5'-O-Dimethoxytrityl-O(4)-4-Nitrophenylethyl-2'-O-4-Nitrophenylethylsulfonyluridine
[CAS# 114522-13-3]

Identification

• Name: 5'-O-Dimethoxytrityl-O(4)-4-Nitrophenylethyl-2'-O-4-Nitrophenylethylsulfonyluridine
• Synonyms: [(2R,3S,4R,5R)-2-[[Bis(4-Methoxyphenyl)-Phenyl-Methoxy]Methyl]-4-Hydroxy-5-[4-[2-(4-Nitrophenyl)Ethoxy]-2-Oxo-Pyrimidin-1-Yl]Tetrahydrofuran-3-Yl] 2-(4-Nitrophenyl)Ethanesulfonate; 2-(4-Nitrophenyl)Ethanesulfonic Acid [(2R,3S,4R,5R)-2-[[Bis(4-Methoxyphenyl)-Phenylmethoxy]Methyl]-4-Hydroxy-5-[4-[2-(4-Nitrophenyl)Ethoxy]-2-Oxo-1-Pyrimidinyl]-3-Tetrahydrofuranyl] Ester; 2-(4-Nitrophenyl)Ethanesulfonic Acid [(2R,3S,4R,5R)-2-[[Bis(4-Methoxyphenyl)-Phenyl-Methoxy]Methyl]-4-Hydroxy-5-[2-Keto-4-[2-(4-Nitrophenyl)Ethoxy]Pyrimidin-1-Yl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₄₆H₄₄N₄O₁₄S
• CAS Registry Number: 114522-13-3
• SMILES: [C@@H]4(COC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)[C@H]([C@@H](O)[C@@H](O4)N6C(=O)N=C(OCCC5=CC=C(C=C5)[N+](=O)[O-])C=C6)O[S](CCC7=CC=C(C=C7)[N+](=O)[O-])(=O)=O
• InChI: 1S/C46H44N4O14S/c1-59-38-20-12-34(13-21-38)46(33-6-4-3-5-7-33,35-14-22-39(60-2)23-15-35)62-30-40-43(64-65(57,58)29-26-32-10-18-37(19-11-32)50(55)56)42(51)44(63-40)48-27-24-41(47-45(48)52)61-28-25-31-8-16-36(17-9-31)49(53)54/h3-24,27,40,42-44,51H,25-26,28-30H2,1-2H3/t40-,42-,43-,44-/m1/s1
• InChIKey: ZDSKUWRANBGSEL-QQIQMRLBSA-N

Properties

• Density: 1.389g/cm³ (Cal.)
• Boiling point: 1033.3°C at 760 mmHg (Cal.)
• Flash point: 578.719°C (Cal.)