5-{(1E)-3-[(6-Aminohexyl)Amino]-3-Oxo-1-Propen-1-Yl}-5'-O-[Bis(4-Methoxyphenyl)(Phenyl)Methyl]-2'-Deoxyuridine
[CAS# 252337-60-3]

Identification

• Name: 5-{(1E)-3-[(6-Aminohexyl)Amino]-3-Oxo-1-Propen-1-Yl}-5'-O-[Bis(4-Methoxyphenyl)(Phenyl)Methyl]-2'-Deoxyuridine
• Molecular Formula: C₃₉H₄₆N₄O₈
• Molecular Weight: 698.80
• CAS Registry Number: 252337-60-3
• SMILES: COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCC4C(CC(O4)n5cc(c(=O)[nH]c5=O)C=CC(=O)NCCCCCCN)O
• InChI: 1S/C39H46N4O8/c1-48-31-17-13-29(14-18-31)39(28-10-6-5-7-11-28,30-15-19-32(49-2)20-16-30)50-26-34-33(44)24-36(51-34)43-25-27(37(46)42-38(43)47)12-21-35(45)41-23-9-4-3-8-22-40/h5-7,10-21,25,33-34,36,44H,3-4,8-9,22-24,26,40H2,1-2H3,(H,41,45)(H,42,46,47)/b21-12+/t33-,34+,36+/m0/s1
• InChIKey: LZRVIYIHUBJELH-JFYNCNQLSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Refractive index: 1.615 (Cal.)