35094-46-3 (ATPgS,Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid)

结构式:
CAS号:
35094-46-3
中文名称:
ATPgS
英文名称:
Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid
分子式:
C10H16N5O12P3S
分子量:
523.246623039246

ATPgS(35094-46-3)名称与标识符

名称

中文别名:
腺苷-5'-O-(1-硫代三磷酸酯);
英文别名:
Adenosine5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid;ADENOSINE- 5'- O- (1- THIOTRIPHOSPHATE), SP- ISOMER ( SP-ATP-Α-S );ADENOSINE-5'-O-(1-THIOTRIPHOSPHATE), SP-ISOMER SODIUM SALT;adenosine 5'-[gamma-thio]triphosphate; γ-Thio-ATP ; Adenosine 5'-[γ-S]triphosphate; Adenosine 5'-(γ-thiotriphosphate); Adenosine 5'-(3-thiotriphosphate); ATPgS;ATP-γ-S;Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid;CHEMBL131890;CHEBI:27575;alpha-Thioadenosine triphosphate;[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-sulfanylphosphinic acid;ADENOSINE-5''-DIPHOSPHATE MONOTHIOPHOSPHATE;1xxh;C10H16N5O12P3S;adenosine, 5'-O-[[[[(dihydroxyphosphinothioyl)oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]-;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphinothioyl hydrogen phosphate;Adenosine 5'-O-(gamma-thiotriphosphate);ATP-gamma-S;Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid;adenosine 5'-O-thiotriphosphate;alpha-Thio-ATP;Adenosine 5'-(3-thiotriphosphate);[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-sulfanyl-phosphinic acid;SCHEMBL20164791;BDBM50118217;Adenosine 5'-(gamma-thiotriphosphate);1w1w;Adenosine 5 inverted exclamation marka-(3-thiotriphosphate);Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid (9CI);35094-46-3;SCHEMBL77440;Adenosine 5'-thiotriphosphate;Adenosine 5'-[gamma-S]triphosphate;1njf;(gamma-S)ATP;DTXSID301138619;ATP-gammaS;phosphothiophosphoric acid-adenylate ester;Adenosine 5'-O-(3-thiotriphosphate);Adenosine-5'-(3-thiotriphosphate);gamma-Thio-ATP;Adenosine, 5'-P''-ester with thiotriphosphoric acid ((HO)2P(O)OP(O)(OH)OP(35S)(OH)2);Adenosine 5'-(gamma-thio)triphosphate;adenosine-5'-diphosphate monothiophosphate;DB02930;5'-O-(hydroxy{[hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl)adenosine;Adenosine 5'-(gamma-S)triphosphate;C10-H16-N5-O12-P3-S;ATPgammaS;Adenosine 5-O-(3-thiotriphophate);Adenosine 5'-(.gamma.-S)triphosphate;ATP.gamma.S;Adenosine 5'-(3-thio)triphosphate;117750-47-7;Gamma Thio ATP;ATPgS;Adenosine 5'-(γ-thiotriphosphate);Adenosine 5'-[γ-S]triphosphate;γ-Thio-ATP;5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]adenosine;Adenosine 5a(2)-(trihydrogen diphosphate), Pa(2)-anhydride with phosphorothioic acid;

标识符

InChIKey:
NLTUCYMLOPLUHL-KQYNXXCUSA-N
Inchi:
1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
SMILES:
S=P(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

ATPgS(35094-46-3)物化性质

实验特性

  • LogP : -0.28080
  • PSA : 323.58000
  • 折射率 : 1.92
  • 沸点 : 940.5ºC at 760 mmHg
  • 闪点 : 522.6ºC
  • 密度 : 2.56g/cm3

计算特性

  • 精确分子量 : 522.97300
  • 氢键供体数量 : 7
  • 氢键受体数量 : 17
  • 可旋转化学键数量 : 8
  • 同位素质量 : 522.973
  • 重原子数量 : 31
  • 复杂度 : 805
  • 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) : _4
  • 拓扑分子极性表面积 : 294Ų

ATPgS(35094-46-3)推荐厂家 更多厂家(3)

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
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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