5542-28-9 (AppppA,Adenosine 5'-(pentahydrogen tetraphosphate), P'''→5'-ester with adenosine)

快速询单

结构式：

AppppAMOL文件

CAS号：

5542-28-9

中文名称：

AppppA

英文名称：

Adenosine 5'-(pentahydrogen tetraphosphate), P'''→5'-ester with adenosine

分子式：

C₂₀H₂₈N₁₀O₁₉P₄

分子量：

836.386966705322

AppppA(5542-28-9)名称与标识符

名称

英文别名：

[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]me;5',5'''-Diadenosine tetraphosphate;5'-ester with adenosine;Adenosine5'-(pentahydrogen tetraphosphate), P'''® P1,P4-Diadenosine-5'-tetraphosphate; P1,P4-Di(adenosin-5'- 4 yl)tetraphosphate; Diadenosine tetraphosphate; Diadenosine 5',5'''-P1,P4-tetraphosphate; AppppA; Ap A; Adenosine-5'- tetraphospho-5'-adenosine; 5',5'''-Diadenosine tetraphosphate; 5'-Adenylic acid, 5'→5'-anhydride with adenosine 5'-triphosphate (8CI); Adenosine 5'-tetraphosphate, 5'-ester with adenosine (7CI);Adenosine 5'-(pentahydrogen tetraphosphate), 5'→5'-ester with adenosine (8CI);Adenosine 5'-(pentahydrogen tetraphosphate), P'''→5'-ester with adenosine;ADENOSINE 5'-(PENTAHYDROGEN TETRAPHOSPHATE), 5'-5'-ESTER with ADENOSINE;P1,P4-Bis(5'-adenosyl) tetraphosphate;AppppA;(ppA)2;LS-15171;Diadenosine 5',5'''-P(sup 1),P(sup 2)-tetraphosphate;BIS(ADENOSINE)-5'-TETRAPHOSPHATE;{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid;SCHEMBL849869;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate;adenosine(5'')tetraphospho(5'')adenosine;C01260;Diadenosine 5',5'''-P1,P4-tetraphosphate;CHEBI:17422;DTXSID60203994;P1,P4-Di(adenosin-5'-yl)tetraphosphate;diadenosine-tetraphosphate;Ap4A;P(1), P(4)-diadenosine-5'tetraphosphate;bis(5''-adenylyl) diphosphate;bis(5'-adenosyl)tetraphosphate;adenosine(5')tetraphospho(5')adenosine;adenosine-(5')-tetraphospho-(5')-adenosine;Diadenosine tetraphosphate;C20H28N10O19P4;C20-H28-N10-O19-P4;P(1),P(4)-bis(5'-adenosyl) tetraphosphate;B4P;A(5')p4(5')A;5542-28-9;Q27102391;Adenosine 5'-tetraphosphate, 5'-ester with adenosine;A(5'')p4(5'')A;CHEMBL339385;BDBM50118220;P1,P4-bis(5'-adenosyl)tetraphosphate;P(1),P(4)-bis(5''-adenosyl) tetraphosphate;P1,P4-Diadenosine-5'-tetraphosphate;Adenosine 5'-tetraphosphate, 5'-ester with adenosine (7CI);5'-Adenylic acid, 5'→5'-anhydride with adenosine 5'-triphosphate (8CI);Adenosine-5'-tetraphospho-5'-adenosine;102783-36-8;P(1),P(4)-bis(5'-adenosyl) tetraphosphate tetraanion;bis(5'-adenylyl) diphosphate;

标识符

InChIKey：

YOAHKNVSNCMZGQ-XPWFQUROSA-N

Inchi：

1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

SMILES：

P(=O)(O)(OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

AppppA(5542-28-9)物化性质

实验特性

LogP : -1.475

计算特性

精确分子量 : 836.04826669g/mol
氢键供体数量 : 10
氢键受体数量 : 27
可旋转化学键数量 : 14
同位素质量 : 836.04826669g/mol
重原子数量 : 53
复杂度 : 1410
同位素原子数量 : 0
确定原子立构中心数量 : 8
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -8.3
拓扑分子极性表面积 : 434Å²

AppppA(5542-28-9)推荐厂家更多厂家(4)

公司名称	手机号/电话	联系人	QQ	询单
上海楷森生物科技有限公司	17558870519 175-58870519	赵经理	3003926540	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693	询单
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	询单

AppppA(5542-28-9)合成路线

合成路线：1 步

56-65-5

5542-28-9

反应条件：

1.1R:R:MgCl2, C:122332-73-4, S:H2O, 16 h, 25°C, pH 7.8

参考文献：

Enterobactin Synthetase-Catalyzed Formation of P1,P3-Diadenosine-5'-tetraphosphate

By Sikora, Alison L. et al, Biochemistry, 2009, 48(46), 10827-10829

合成路线：9 步

反应条件：

1.1R:EtN(Pr-i)2, R:PCl3, S:THF, 10 min, 0°C; 45 min, 0°C
2.1R:EtN(Pr-i)2, 10 min, 0°C; 25 min, 0°C
2.2R:EtN(Pr-i)2, S:H2O, 10 min, 0°C; 10 min, 0°C
3.1R:EtN(Pr-i)2, R:PCl3, 10 min, 0°C; 25 min, 0°C
3.2R:EtN(Pr-i)2, 10 min, 0°C; 15 min, 0°C
1.1R:EtN(Pr-i)2, R:PCl3, S:THF, 10 min, 0°C; 45 min, 0°C
2.1R:EtN(Pr-i)2, R:PCl3, 10 min, 0°C; 25 min, 0°C
2.2R:EtN(Pr-i)2, S:H2O, S:THF, 10 min, 0°C
2.3R:EtN(Pr-i)2, 10 min, 0°C; 25 min, 0°C
2.4R:EtN(Pr-i)2, 10 min, 0°C; 35 min, 0°C
3.1R:(polymer-bound)R:EtN(Pr-i)2, S:THF, 24 h, 4°C
4.1R:S:THF, S:DMSO, 48 h, rt
5.1R:t-BuOOH, S:Me(CH2)8Me, S:THF, 2.5 h, rt
6.1R:DBU, S:THF, 48 h, rt

参考文献：

Solid-Phase Synthesis of Symmetrical 5',5'-Dinucleoside Mono-, Di-, Tri-, and Tetraphosphodiesters

By Ahmadibeni, Yousef and Parang, Keykavous, Organic Letters, 2007, 9(22), 4483-4486

合成路线：1 步

56-65-5

5542-28-9

反应条件：

1.1R:MgCl2, R:R:HCl, R:ZnCl2, C:9031-26-9, S:H2O, 20-30 min, 37°C, pH 7.8

参考文献：

The duality of LysU, a catalyst for both Ap4A and Ap3A formation

By Wright, Michael et al, FEBS Journal, 2006, 273(15), 3534-3544

合成路线：1 步

56-65-5

_16%

5542-28-9

反应条件：

1.1R:Phosphoenolpyruvic acid, R:Tris buffer, R:MgCl2, R:Cleland's reagent, R:HCl, R:ZnCl2, R:KCl, S:H2O, 15 min, 37°C, pH 7.8; 37°C → 95°C; 2 min, 95°C

参考文献：

Enzymatic Synthesis of Bis(5'-Nucleosidyl) Tetra- and Triphosphates

By Skoblov, A. Yu. et al, Russian Journal of Bioorganic Chemistry, 2005, 31(6), 563-566

合成路线：2 步