Cas no 139041-17-1 (Adenosine5'-(tetrahydrogen triphosphate), 8-thiocyanato- (9CI))
139041-17-1 structure
Product Name:Adenosine5'-(tetrahydrogen triphosphate), 8-thiocyanato- (9CI)
CAS No:139041-17-1
MF:C11H15N6O13P3S
MW:564.255482912064
CID:226606
PubChem ID:132196
Update Time:2025-04-19
Adenosine5'-(tetrahydrogen triphosphate), 8-thiocyanato- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Adenosine5'-(tetrahydrogen triphosphate), 8-thiocyanato- (9CI)
- 8-thiocyanatoadenosine 5'-(tetrahydrogen triphosphate)
- 8-Thiocyano-adenosine triphosphate
- 8-Thiocyano-ATP
- Adenosine 5'-(tetrahydrogen triphosphate), 8-thiocyanato-
- 139041-17-1
- DTXSID00930292
- 9-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-8-(thiocyanato)-9H-purin-6-amine
- [6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-2-yl]purin-8-yl] thiocyanate
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- Inchi： 1S/C11H15N6O13P3S/c12-2-34-11-16-5-8(13)14-3-15-9(5)17(11)10-7(19)6(18)4(28-10)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,18-19H,1H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
- InChI Key： FTOLYLJDISCXPB-KQYNXXCUSA-N
- SMILES： S(C#N)C1=NC2C(N)=NC=NC=2N1[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1)O)O
Computed Properties
- Exact Mass: 563.96325
- Monoisotopic Mass: 563.963065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 34
- Rotatable Bond Count: 9
- Complexity: 949
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _4.8
- Topological Polar Surface Area: 328
Experimental Properties
- Density: 2.56
- Boiling Point: 1008.2°Cat760mmHg
- Flash Point: 563.5°C
- Refractive Index: 1.924
- PSA: 302.92
Adenosine5'-(tetrahydrogen triphosphate), 8-thiocyanato- (9CI) Suppliers
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(CAS:139041-17-1)8-Thiocyano-adenosine triphosphate
Order Number:NC19732
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:15
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Adenosine5'-(tetrahydrogen triphosphate), 8-thiocyanato- (9CI) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Recommended suppliers
NewCan Biotech Limited
(CAS:139041-17-1)8-Thiocyano-adenosine triphosphate
Purity:97%
Quantity:10g
Price ($):Inquiry