86-01-1 (鸟三磷,Guanosine5'-(tetrahydrogen triphosphate))

结构式:
CAS号:
86-01-1
中文名称:
鸟三磷
英文名称:
Guanosine5'-(tetrahydrogen triphosphate)
分子式:
C10H16N5O14P3
分子量:
523.180424690247
简介:
Guanosine triphosphate 是一种天然核苷酸。GTP 衍生物可作为抗 COVID-19 的特异性抑制剂。

鸟三磷(86-01-1)名称与标识符

名称

中文别名:
5'-鸟嘌呤核苷三磷酸二钠盐,GUANOSINE-5'-TRIPHOSPHATE DISODIUM SALT;鸟三磷;
英文别名:
Guanosine5'-(tetrahydrogen triphosphate);GUANOSINE 5'-TRIPHOSPHATE;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate;D-Guanosine5'-triphosphate;guanosine 5'-O-(triphosphate);Guanosine 5'-triphosphoric acid;Guanosine triphosphate;guanosine triphosphate (-Na2);Guo-5'-P3;pppG;56001-37-7;6H-purin-6-one, 2-amino-1,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-ribofuranosyl]-;Guanosine-5'-triphosphate;EINECS 201-647-3;DB04137;Guanosine 5'-triphosphate Disodium;Guanosine, mono(tetrahydrogen triphosphate) (ester);H4gtp;CS-0059351;Q392227;01WV7J708X;BRN 1201437;86-01-1;[3h]guanosine triphosphate;Guanosine 5a(2)-triphosphate sodium salt hydrate;({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid;Cdc48 protein;SCHEMBL15900104;Gtp 100mm solution(guanosine-5'-triphosphate,trisodium salt);[[(2R,3S,4R,5R)-5-(2-amino-6-hydroxypurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;UNII-01WV7J708X;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate;CHEMBL1233147;154765-83-0;1jlr;Guanosine triphosphate (6Cl);Guanosine mono(tetrahydrogen triphosphate) (ester);NCGC00163327-01;136295-02-8;139021-15-1;guanosintriphosphat;5'-GTP;1e96;SCHEMBL44408;Guanosine 5'-(tetrahydrogen triphosphate);CHEBI:15996;GTP;Hemoglobin F-saskatoon;DTXSID30235328;GTPL1742;XKMLYUALXHKNFT-UUOKFMHZSA-N;6A1C76E9-BEFB-4684-B0C1-8C50AE53C506;36051-31-7;Benzenebutanoyl chloride, 4-(trifluoroMethyl)-;1j2j;NS00015100;Guanosine 5'-triphosphorate;HY-113225;C00044;GTP(3-);GTP trianion;DTXCID30157819;Triphosphate, Guanosine;(((2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate;DA-73938;(((2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate;Guanosine 5'-(tetrahydrogen triphosphate), sodium salt;((2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate;Guanosine-5'-triphosphoric acid;[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;Guanosine-5'-(tetrahydrogen triphosphate);guanosine triphosphoric acid;24905-71-3;(((((((2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid;

标识符

InChIKey:
XKMLYUALXHKNFT-UUOKFMHZSA-N
Inchi:
1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
SMILES:
P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O

鸟三磷(86-01-1)物化性质

实验特性

  • LogP : -1.75450
  • PSA : 328.53000

计算特性

  • 精确分子量 : 522.99100
  • 氢键供体数量 : 9
  • 氢键受体数量 : 19
  • 可旋转化学键数量 : 8
  • 同位素质量 : 522.99066119g/mol
  • 重原子数量 : 32
  • 复杂度 : 927
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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) : -5.7
  • 拓扑分子极性表面积 : 295Ų

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