3-[(Di(Propan-2-Yl)Amino)-[(2R,3S,5R)-2-[(9-Phenylxanthen-9-Yl)Oxymethyl]-5-Purin-9-Yloxolan-3-Yl]Oxyphosphoryl]Oxypropanenitrile
[CAS# 114155-97-4]

Identification

• Name: 3-[(Di(Propan-2-Yl)Amino)-[(2R,3S,5R)-2-[(9-Phenylxanthen-9-Yl)Oxymethyl]-5-Purin-9-Yloxolan-3-Yl]Oxyphosphoryl]Oxypropanenitrile
• Synonyms: 3-[(Diisopropylamino)-[(2R,3S,5R)-2-[(9-Phenylxanthen-9-Yl)Oxymethyl]-5-Purin-9-Yl-Tetrahydrofuran-3-Yl]Oxy-Phosphoryl]Oxypropanenitrile; 3-[(Diisopropylamino)-[[(2R,3S,5R)-2-[(9-Phenyl-9-Xanthenyl)Oxymethyl]-5-(9-Purinyl)-3-Tetrahydrofuranyl]Oxy]Phosphoryl]Oxypropanenitrile; 3-[(Diisopropylamino)-[(2R,3S,5R)-2-[(9-Phenylxanthen-9-Yl)Oxymethyl]-5-Purin-9-Yl-Tetrahydrofuran-3-Yl]Oxy-Phosphoryl]Oxypropionitrile
• Molecular Formula: C₃₈H₄₁N₆O₆P
• Molecular Weight: 708.75
• CAS Registry Number: 114155-97-4
• SMILES: [C@@H]3(O[C@@H]([N]1C2=C(N=C1)C=NC=N2)C[C@@H]3O[P](OCCC#N)(=O)N(C(C)C)C(C)C)COC4(C6=C(OC5=C4C=CC=C5)C=CC=C6)C7=CC=CC=C7
• InChI: 1S/C38H41N6O6P/c1-26(2)44(27(3)4)51(45,47-20-12-19-39)50-34-21-36(43-25-42-31-22-40-24-41-37(31)43)49-35(34)23-46-38(28-13-6-5-7-14-28)29-15-8-10-17-32(29)48-33-18-11-9-16-30(33)38/h5-11,13-18,22,24-27,34-36H,12,20-21,23H2,1-4H3/t34-,35+,36+,51?/m0/s1
• InChIKey: HZJOYKSHAZBQGQ-XPXLEKHWSA-N