62640-02-2 (Furo[3,4-d]-1,3,2-dioxaphosphole, adenosine 5'-(trihydrogen diphosphate) deriv,Adenosine 5'-(trihydrogen diphosphate), cyclic 2',3'-(hydrogen phosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium inner salt)

CAS号:
62640-02-2
中文名称:
Furo[3,4-d]-1,3,2-dioxaphosphole, adenosine 5'-(trihydrogen diphosphate) deriv
英文名称:
Adenosine 5'-(trihydrogen diphosphate), cyclic 2',3'-(hydrogen phosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium inner salt
分子式:
C21H26N7O16P3
分子量:
725.389727115631

Furo[3,4-d]-1,3,2-dioxaphosphole, adenosine 5'-(trihydrogen diphosphate) deriv(62640-02-2)名称与标识符

名称

英文别名:
2´3´-Cyclic-NADP;[[(3aS,4R,6R)-4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxola;2',3'-cyclic NADP;2'3'-CYCLIC-NADP;2'3'-Cyclic-NADP Discontinued;2'3'-Cyclic-NADP Discontinued;5'-ester with3-(aminocarbonyl)-1-b-D-ribofur;5'-ester with3-(aminocarbonyl)-1-b-D-ribofuranosylpyridinium inner salt;Adenosine 5'-(Trihydrogen Diphosphate) Cyclic 2',3'-(Hydrogen Phosphate) P' inverted exclamation marku5'-Ester with 3-(Aminocarbonyl)-1-;Adenosine5'-(trihydrogen diphosphate), cyclic 2',3'-(hydrogen phosphate), P'®A-D-ribofuranosylpyridinium Inner Salt;Adenosine 5'-(trihydrogen diphosphate), cyclic 2',3'-(hydrogen phosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium inner salt;62640-02-2;Adenosine 5'-(trihydrogen diphosphate), cyclic 2',3'-(hydrogen phosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt;Furo[3,4-d]-1,3,2-dioxaphosphole, adenosine 5'-(trihydrogen diphosphate) deriv.;

标识符

InChIKey:
FYSCLQKJEHBMFH-NNYOXOHSSA-N
Inchi:
1S/C21H26N7O16P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16-15(42-47(36,37)43-16)11(41-21)6-39-46(34,35)44-45(32,33)38-5-10-13(29)14(30)20(40-10)27-3-1-2-9(4-27)18(23)31/h1-4,7-8,10-11,13-16,20-21,29-30H,5-6H2,(H6-,22,23,24,25,31,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
SMILES:
P1(=O)(O)O[C@H]2[C@H](N3C=NC4C(N)=NC=NC3=4)O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@H]([N+]4C=CC=C(C(N)=O)C=4)O3)O)O)[C@H]2O1

Furo[3,4-d]-1,3,2-dioxaphosphole, adenosine 5'-(trihydrogen diphosphate) deriv(62640-02-2)物化性质

实验特性

  • LogP : 0.05030
  • PSA : 366.81000

计算特性

  • 精确分子量 : 725.06500
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 455.130362
  • 重原子数量 : 33
  • 复杂度 : 696
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 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 : 2
  • 疏水参数计算参考值(XlogP) : -6.1
  • 拓扑分子极性表面积 : 106

Furo[3,4-d]-1,3,2-dioxaphosphole, adenosine 5'-(trihydrogen diphosphate) deriv(62640-02-2)推荐厂家 更多厂家(3)

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上海楷森生物科技有限公司 17558870519
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北京百奥莱博科技有限公司 18518407031王欣 570202610
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苏州探科生物科技有限公司 18962323641王工 2813290504 询单