5'-O-[Hydroxy[[Hydroxy[[(3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-[[2-[(1-Oxopentadecyl)Thio]Ethyl]Amino]Propyl]Amino]Butyl]Oxy]Phosphinyl]Oxy]Phosphinyl]-Adenosine 3'-(Dihydrogen Phosphate) I On(2-)
[CAS# 24870-39-1]

Identification

• Name: 5'-O-[Hydroxy[[Hydroxy[[(3R)-3-Hydroxy-2,2-Dimethyl-4-Oxo-4-[[3-Oxo-3-[[2-[(1-Oxopentadecyl)Thio]Ethyl]Amino]Propyl]Amino]Butyl]Oxy]Phosphinyl]Oxy]Phosphinyl]-Adenosine 3'-(Dihydrogen Phosphate) I On(2-)
• Molecular Formula: C₃₆H₆₂N₇O₁₇P₃S
• Molecular Weight: 989.90
• CAS Registry Number: 24870-39-1
• SMILES: CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H](n2cnc1c(N)ncnc12)[C@H](O)[C@@H]3OP(O)(=O)O
• InChI: 1S/C36H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27(45)64-20-19-38-26(44)17-18-39-34(48)31(47)36(2,3)22-57-63(54,55)60-62(52,53)56-21-25-30(59-61(49,50)51)29(46)35(58-25)43-24-42-28-32(37)40-23-41-33(28)43/h23-25,29-31,35,46-47H,4-22H2,1-3H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/p-2/t25-,29-,30-,31+,35-/m1/s1
• InChIKey: VLBCUOVMSMAIJC-VTINEICCSA-L

Properties

• Refractive index: (Cal.)