Cas no 81410-35-7 (Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')-)

Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')- structure
81410-35-7 structure
Product Name:Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')-
CAS No:81410-35-7
MF:C40H51N20O28P5
MW:1414.81894993782
CID:5598698
Update Time:2023-09-01

Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')- Chemical and Physical Properties

Names and Identifiers

    • Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')-
    • Adenosine 5'-(trihydrogen diphosphate), adenylyl-(5'→2')-adenylyl-(5'→2')-adenylyl-(5'→2')-
    • 5'-O-[Hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')-adenosine
    • Inchi: 1S/C40H51N20O28P5/c41-29-17-33(49-5-45-29)57(9-53-17)37-25(65)21(61)13(81-37)1-77-90(69,70)85-26-22(62)14(82-38(26)58-10-54-18-30(42)46-6-50-34(18)58)2-78-91(71,72)86-27-23(63)15(83-39(27)59-11-55-19-31(43)47-7-51-35(19)59)3-79-92(73,74)87-28-24(64)16(4-80-93(75,76)88-89(66,67)68)84-40(28)60-12-56-20-32(44)48-8-52-36(20)60/h5-16,21-28,37-40,61-65H,1-4H2,(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)(H2,44,48,52)(H2,66,67,68)/t13-,14-,15-,16-,21-,22-,23-,24-,25-,26-,27-,28-,37-,38-,39-,40-/m1/s1
    • InChI Key: ZVZAJJIPSNEBQT-HKIDEBSPSA-N
    • SMILES: O([C@@H]1[C@@H]([C@@H](COP(O)(=O)O[C@@H]2[C@@H]([C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]2N2C=NC3C(=NC=NC2=3)N)O)O[C@H]1N1C=NC2C(=NC=NC1=2)N)O)P(O)(=O)OC[C@@H]1[C@H]([C@@H](OP(O)(=O)OC[C@@H]2[C@H]([C@@H](O)[C@H](N3C=NC4C(=NC=NC3=4)N)O2)O)[C@H](N2C=NC3C(=NC=NC2=3)N)O1)O

Experimental Properties

  • Density: 2.56±0.1 g/cm3(Predicted)
  • pka: 1.37±0.50(Predicted)

Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')- Production Method

Production Method 1

Reaction Conditions
1.1R:Tris buffer, R:MgCl2, R:Cleland's reagent, C:69106-44-1, S:H2O, 15 min, 30°C, pH 7.5; 5 min, 95°C
1.2C:62213-21-2, 2 h, 37°C; 5 min, 95°C
Reference
High yield synthesis, purification and characterisation of the RNase L activators 5'-triphosphate 2'-5'-oligoadenylates
By Morin, B. et al, Antiviral Research, 2010, 87(3), 345-352

Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')- Raw materials

Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')- Preparation Products

Adenosine, 5'-O-[hydroxy(phosphonooxy)phosphinyl]adenylyl-(2'→5')-adenylyl-(2'→5')-adenylyl-(2'→5')- Related Literature

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