Adenosine 5'-(hexahydrogen pentaphosphate), 5'.5'-ester with adenosine, pentasodium salt

Base Information

• Chemical Name: Adenosine 5'-(hexahydrogen pentaphosphate), 5'.5'-ester with adenosine, pentasodium salt
• CAS No.: 4097-04-5
• Molecular Formula: C20H29 N10 O22 P5 . 5 Na
• Molecular Weight: 1026.28
• European Community (EC) Number: 223-852-7
• DSSTox Substance ID: DTXSID20193968
• Nikkaji Number: J224.902B
• Mol file: 4097-04-5.mol

Synonyms:4097-04-5;Adenosine 5'-(hexahydrogen pentaphosphate), 5'.5'-ester with adenosine, pentasodium salt;EINECS 223-852-7;P1,P5-Di(adenosine-5') pentaphosphate pentasodium salt;pentasodium;bis[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate;Diadenosine pentaphosphate pentasodium salt;DTXSID20193968;NNMFUJJMJIYTSP-CSMIRWGRSA-I;A(5')P5(5')A;P1,P5-Di(adenosine-5') pentaphosphate pentasodium salt, >=95% (HPLC), powder

Chemical Property of Adenosine 5'-(hexahydrogen pentaphosphate), 5'.5'-ester with adenosine, pentasodium salt

Chemical Property:

• PSA: 543.70000
• LogP: 1.02400
• Storage Temp.: −20°C
• Solubility.: H2O: 50 mg/mL
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 30
• Rotatable Bond Count: 16
• Exact Mass: 1025.9243188
• Heavy Atom Count: 62
• Complexity: 1540

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diadenosine pentaphosphate pentasodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.[Na+].[Na+].[Na+].[Na+].[Na+]
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N.[Na+].[Na+].[Na+].[Na+].[Na+]
• Uses: P1,P5-Di(adenosine-5′) pentaphosphate pentasodium salt has been used as:an adenylate kinase (AK) inhibitor in: sarcoma osteogenic (Saos-2) cells mitochondrial lysates during ATP synthesistetramethylrhodamine methyl ester (TMRM) based membrane potential assay chromoplasts

Technology Process of Adenosine 5'-(hexahydrogen pentaphosphate), 5'.5'-ester with adenosine, pentasodium salt

There total 3 articles about Adenosine 5'-(hexahydrogen pentaphosphate), 5'.5'-ester with adenosine, pentasodium salt which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 35.0%

adenosine 5′-phosphoropiperidate triethylammonium salt (1577254-51-3) + tris(tri-n-butylammonium) adenosine 5'-tetraphosphate → P1,P5-diadenosine-5′,5′-pentaphosphate pentasodium salt (4097-04-5)

Guidance literature:

adenosine 5′-phosphoropiperidate triethylammonium salt; tris(tri-n-butylammonium) adenosine 5'-tetraphosphate; With 4,5-dicyano-1H-imidazole; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 16h; Inert atmosphere;

With ammonium bicarbonate; In water; Further stages;

DOI:10.1016/j.cclet.2014.09.015

Reference yield: 35.0%

C15H22N6O6P(1-) → P1,P5-diadenosine-5′,5′-pentaphosphate pentasodium salt (4097-04-5)

Guidance literature:

C₁₅H₂₂N₆O₆P^(1-); With tris(tetra-n-butylammonium) dihydrogen triphosphate; 1,1'-carbonyldiimidazole; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 24h;

In water;

DOI:10.1016/j.tetlet.2014.08.109

Reference yield:

p1,p5-di(adenosine 5'-)pentaphosphate (41708-91-2) → P1,P5-diadenosine-5′,5′-pentaphosphate pentasodium salt (4097-04-5)

Guidance literature:

With resin (Na⁺ form);

DOI:10.1039/c005122e

upstream raw materials:

p¹,p⁵-di(adenosine 5'-)pentaphosphate

adenosine 5′-phosphoropiperidate triethylammonium salt

Refernces

• 1、 Sun, Qi,Sun, Jian,Gong, Shan-Shan,Wang, Cheng-Jun,Wang, Xing-Cong. "Synthesis of nucleoside tetraphosphates and dinucleoside pentaphosphates from nucleoside phosphoropiperidates via the activation of P(V)N bond". . p. 89 - 92. Retrieved 2015.