10527-48-7 (P1,P4-(Adenosine-5'-uridine-5') tetraphosphate,Adenosine 5'-(pentahydrogen tetraphosphate), P'''→5'-ester with uridine)

CAS号:
10527-48-7
中文名称:
P1,P4-(Adenosine-5'-uridine-5') tetraphosphate
英文名称:
Adenosine 5'-(pentahydrogen tetraphosphate), P'''→5'-ester with uridine
分子式:
C19H27N7O21P4
分子量:
813.347028017044

P1,P4-(Adenosine-5'-uridine-5') tetraphosphate(10527-48-7)名称与标识符

名称

英文别名:
adenosine(5')tetraphosphate uridine;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate;5'-ester with uridine;Adenosine 5'-(pentahydrogen tetraphosphate), P'''-5'-ester with uridine;Adenosine5'-(pentahydrogen tetraphosphate), P'''®P1- (5'- ADENOSYL)- P4- (5'- URIDYL)- TETRAPHOSPHATE;URIDINE- ADENOSINE- 5'- TETRAPHOSPHATE ( UP4A ); P1,P4-(Adenosine-5'-uridine-5') tetraphosphate; Uridine, 5'-ester with adenosine 5'-tetraphosphate (8CI); Adenosine tetraphosphate, 5'→5'-ester with uridine (7CI);Adenosine 5'-(pentahydrogen tetraphosphate), 5'→5'-ester with uridine (8CI);Adenosine 5'-(pentahydrogen tetraphosphate), P'''→5'-ester with uridine;C19H27N7O21P4;Ap4U;10527-48-7;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate;CHEMBL1950792;Adenosine (5')tetraphosphate uridine;Adenosine tetraphosphate, 5'→5'-ester with uridine (7CI);Uridine, 5'-ester with adenosine 5'-tetraphosphate (8CI);P1,P4-(Adenosine-5'-uridine-5') tetraphosphate;P1,P4-(Adenosine-5 inverted exclamation marka-uridine-5 inverted exclamation marka) tetraphosphate;

标识符

InChIKey:
ADWZBTIGCZHWBW-KPKSGTNCSA-N
Inchi:
1S/C19H27N7O21P4/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(31)12(29)8(44-18)4-42-49(35,36)46-51(39,40)47-50(37,38)45-48(33,34)41-3-7-11(28)13(30)17(43-7)25-2-1-9(27)24-19(25)32/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,20,21,22)(H,24,27,32)/t7-,8-,11-,12-,13-,14-,17-,18-/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=CC(NC2=O)=O)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

P1,P4-(Adenosine-5'-uridine-5') tetraphosphate(10527-48-7)物化性质

实验特性

  • LogP : -2.32480
  • PSA : 413.76
  • 折射率 : 1.893
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 密度 : 2.53

计算特性

  • 精确分子量 : 813.02121
  • 氢键供体数量 : 10
  • 氢键受体数量 : 25
  • 可旋转化学键数量 : 14
  • 同位素质量 : 813.021
  • 重原子数量 : 51
  • 复杂度 : 1560
  • 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) : _8.7
  • 拓扑分子极性表面积 : 414Ų

P1,P4-(Adenosine-5'-uridine-5') tetraphosphate(10527-48-7)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
询单

P1,P4-(Adenosine-5'-uridine-5') tetraphosphate(10527-48-7)合成路线

合成路线:2 步
反应条件:
参考文献:
Alternative synthetic approaches for nucleotides and derivatives
By Appy, Lucie et al, Phosphorus, 2022, 197(5-6), 434-437
合成路线:1 步
反应条件:
参考文献:
Green approaches for the synthesis of nucleotides, their conjugates and analogues
By Appy, Lucie et al, Phosphorus, 2020, 195(11), 930-931
合成路线:2 步
反应条件:
参考文献:
Engineering Human Fhit, a Diadenosine Triphosphate Hydrolase, into an Efficient Dinucleoside Polyphosphate Synthase
By Huang, Kaisheng and Frey, Perry A., Journal of the American Chemical Society, 2004, 126(31), 9548-9549