Cas no 107133-74-4 (Adenosine, 5'-(O-methylhydrogen phosphorothioate), (R)- (9CI))
107133-74-4 structure
Product Name:Adenosine, 5'-(O-methylhydrogen phosphorothioate), (R)- (9CI)
CAS No:107133-74-4
MF:C11H16N5O6PS
MW:377.313401222229
CID:195819
PubChem ID:147108
Update Time:2025-04-19
Adenosine, 5'-(O-methylhydrogen phosphorothioate), (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Adenosine, 5'-(O-methylhydrogen phosphorothioate), (R)- (9CI)
- (2S,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(hydroxy-methoxy-phosphinothioy l)oxymethyl]oxolane-3,4-diol
- (2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolane-3,4-diol
- 5'-O-[hydroxy(methoxy)phosphorothioyl]adenosine
- adenosine 5'-O-phosphorothioate O-methyl ester
- DTXSID80910239
- 107133-74-4
- 9-{5-O-[Hydroxy(methoxy)phosphorothioyl]pentofuranosyl}-9H-purin-6-amine
- APTME
-
- Inchi： 1S/C11H16N5O6PS/c1-20-23(19,24)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,24)(H2,12,13,14)/t5-,7-,8-,11+,23?/m1/s1
- InChI Key： DWZSOXPWUCNSSW-ZAKKHMFKSA-N
- SMILES： S=P(O)(OC)OC[C@@H]1[C@H]([C@H]([C@@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O
Computed Properties
- Exact Mass: 377.05608
- Monoisotopic Mass: 377.05589142g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 24
- Rotatable Bond Count: 5
- Complexity: 506
- 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
- Surface Charge: 0
- Tautomer Count: 6
- XLogP3: nothing
- Topological Polar Surface Area: 190?2
Experimental Properties
- PSA: 158
Adenosine, 5'-(O-methylhydrogen phosphorothioate), (R)- (9CI) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
107133-74-4 (Adenosine, 5'-(O-methylhydrogen phosphorothioate), (R)- (9CI)) Related Products
- 653-63-4(2’-Deoxyadenosine 5’Monophosphate)
- 60-92-4(Cyclic AMP)
- 61-19-8(Adenosine monophosphate)
- 18422-05-4(Adenosine 5'-monophosphate monohydrate)
- 1053-73-2(3'-Adenylic acid,5'-(dihydrogen phosphate))
- 29984-33-6(9-(b-D-Arabinofuranosyl)adenine 5'-monophosphate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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