Cas no 117679-32-0 (Adenosine5'-(tetrahydrogen triphosphate), 8-azido-2'-deoxy- (9CI))
117679-32-0 structure
Product Name:Adenosine5'-(tetrahydrogen triphosphate), 8-azido-2'-deoxy- (9CI)
CAS No:117679-32-0
MF:C10H15N8O12P3
MW:532.193783044815
CID:193625
PubChem ID:3082871
Update Time:2025-04-19
Adenosine5'-(tetrahydrogen triphosphate), 8-azido-2'-deoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine5'-(tetrahydrogen triphosphate), 8-azido-2'-deoxy- (9CI)
- [[(2R,3S,5R)-5-(6-amino-8-azidopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- 8-azido-2'-deoxyadenosine-5'-triphosphate
- DTXSID80151867
- 8-N(3)Datp
- 8-Azido-2/'-deoxyadenosine-5/'-triphosphate
- Andenosine 5'-(tetrahydrogen triphosphate), 8-azido-2'-deoxy-
- 117679-32-0
- SCHEMBL15704019
-
- Inchi： 1S/C10H15N8O12P3/c11-8-7-9(14-3-13-8)18(10(15-7)16-17-12)6-1-4(19)5(28-6)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-6,19H,1-2H2,(H,23,24)(H,25,26)(H2,11,13,14)(H2,20,21,22)/t4-,5+,6+/m0/s1
- InChI Key： SOZZBSOIWRKEQA-KVQBGUIXSA-N
- SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H](C[C@H](N2C(N=[N+]=[N-])=NC3C(N)=NC=NC2=3)O1)O
Computed Properties
- Exact Mass: 532.00200
- Monoisotopic Mass: 532.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 33
- Rotatable Bond Count: 9
- Complexity: 916
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: -3.5
- Topological Polar Surface Area: 273?2
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 338.08000
- LogP: 0.37596
Adenosine5'-(tetrahydrogen triphosphate), 8-azido-2'-deoxy- (9CI) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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