Cas no 10300-26-2 (9H-Purine-6-thiol,2-amino-9-(3-O-methyl-b-D-ribofuranosyl)- (8CI))
10300-26-2 structure
Product Name:9H-Purine-6-thiol,2-amino-9-(3-O-methyl-b-D-ribofuranosyl)- (8CI)
CAS No:10300-26-2
MF:C11H15N5O4S
MW:313.332900285721
CID:185648
PubChem ID:4993488
Update Time:2025-04-19
9H-Purine-6-thiol,2-amino-9-(3-O-methyl-b-D-ribofuranosyl)- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine-6-thiol,2-amino-9-(3-O-methyl-b-D-ribofuranosyl)- (8CI)
- 3'-o-MeTGR
- 3'-O-Methylthioguanosine
- AC1NLZ5Y
- NSC106540
- NSC-106540
- CHEMBL1712265
- DTXSID80407336
- 9H-Purine-6-thiol, 2-amino-9-(3-O-methyl-.beta.-D-ribofuranosyl)-
- 10300-26-2
- SMR001570634
- MLS002703922
-
- Inchi： 1S/C11H15N5O4S/c1-19-7-4(2-17)20-10(6(7)18)16-3-13-5-8(16)14-11(12)15-9(5)21/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,21)
- InChI Key： KQNMPWKRWUZIHC-UHFFFAOYSA-N
- SMILES： S=C1C2=C(NC(N)=N1)N(C=N2)C1C(C(C(CO)O1)OC)O
Computed Properties
- Exact Mass: 313.08465
- Monoisotopic Mass: 313.08447515g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 464
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 159?2
Experimental Properties
- PSA: 128.54
9H-Purine-6-thiol,2-amino-9-(3-O-methyl-b-D-ribofuranosyl)- (8CI) Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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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