102783-44-8 ((Guanosine5'-(tetrahydrogen triphosphate), P''®5'-ester with guanosine, triammonium salt (9CI))

CAS号:
102783-44-8
英文名称:
Guanosine5'-(tetrahydrogen triphosphate), P''®5'-ester with guanosine, triammonium salt (9CI)
分子式:
C20H27N10O18P3
分子量:
788.405865907669

Guanosine5'-(tetrahydrogen triphosphate), P''®5'-ester with guanosine, triammonium salt (9CI)(102783-44-8)名称与标识符

名称

英文别名:
azanium,bis[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate;DIGUANOSINE TRIPHOSPHATE AMMONIUM SALT;Guanosine5'-(tetrahydrogen triphosphate), P''®5'-ester with guanosine, triammonium salt (9CI);Diguanosine triphosphate;G(5′)P3(5′]G;G[5]P3[5']G AMMONIUM SALT;Diguanosine triphosphate, G(5μ)P3(5μ]G;P1 P3-DI(GUANOSINE-5') TRIPHOSPHATE &;P1,P3-DI(GUANOSINE-5') TRIPHOSPHATE AMMONIUM SALT;P(sup 1),P(sup 3)di(guanosine-5')triphosphate, ammonium;DTXSID701155588;HY-139099;Diguanosine 5??-triphosphate;Diguanosine 5 inverted exclamation marka,5 inverted exclamation marka inverted exclamation marka inverted exclamation marka-triphosphate;Guanosine 5'-(tetrahydrogen triphosphate), P''-5'-ester with guanosine;DIGUANOSINE-5'-TRIPHOSPHATE;6674-45-9;Diguanosine 5 inverted exclamation marka-triphosphate;CS-0179594;AKOS040758279;NS00073003;102783-44-8;Guanosine 5'-(tetrahydrogen triphosphate), P''-->5'-ester with guanosine;GP3G;GP3;Diguanosine 5'-triphosphate?;DB03931;{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid;bis[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate;

标识符

InChIKey:
AAXYAFFKOSNMEB-MHARETSRSA-N
Inchi:
1S/C20H27N10O18P3/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(45-17)1-43-49(37,38)47-51(41,42)48-50(39,40)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
SMILES:
P(=O)(O)(OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O

Guanosine5'-(tetrahydrogen triphosphate), P''®5'-ester with guanosine, triammonium salt (9CI)(102783-44-8)物化性质

实验特性

  • LogP : -2.81440
  • PSA : 456.81000

计算特性

  • 精确分子量 : 788.07200
  • 氢键供体数量 : 11
  • 氢键受体数量 : 22
  • 可旋转化学键数量 : 12
  • 同位素质量 : 788.07176504g/mol
  • 重原子数量 : 51
  • 复杂度 : 1500
  • 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) : -8.9
  • 拓扑分子极性表面积 : 419Ų

Guanosine5'-(tetrahydrogen triphosphate), P''®5'-ester with guanosine, triammonium salt (9CI)(102783-44-8)安全信息