Cas no 284040-55-7 (Adenosine 5'-(tetrahydrogen triphosphate), 2-(butylthio)-)
284040-55-7 structure
Product Name:Adenosine 5'-(tetrahydrogen triphosphate), 2-(butylthio)-
CAS No:284040-55-7
MF:C14H24N5O13P3S
MW:595.352344512939
CID:1434426
Update Time:2024-08-15
Adenosine 5'-(tetrahydrogen triphosphate), 2-(butylthio)- Chemical and Physical Properties
Names and Identifiers
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- Adenosine 5'-(tetrahydrogen triphosphate), 2-(butylthio)-
- Adenosine 5'-(tetrahydrogen triphosphate), 2-(butylthio)- (9CI)
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- Inchi： 1S/C14H24N5O13P3S/c1-2-3-4-36-14-17-11(15)8-12(18-14)19(6-16-8)13-10(21)9(20)7(30-13)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,17,18)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1
- InChI Key： UEMDIDCAEYCDMD-QYVSTXNMSA-N
- SMILES： C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=C(SCCCC)N=3)N)N=C2)[C@H](O)[C@@H]1O
Computed Properties
- Exact Mass: 595.03062
Experimental Properties
- Density: 2.20±0.1 g/cm3(Predicted)
- Boiling Point: 979.8±75.0 °C(Predicted)
- PSA: 279.13
- pka: 0.97±0.50(Predicted)
Adenosine 5'-(tetrahydrogen triphosphate), 2-(butylthio)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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