Cas no 68743-16-8 (2-amino-N,N,N-trimethyl-9-pentofuranosyl-9H-purin-6-aminium)
68743-16-8 structure
Product Name:2-amino-N,N,N-trimethyl-9-pentofuranosyl-9H-purin-6-aminium
CAS No:68743-16-8
MF:C13H21ClN6O4
MW:360.796641111374
CID:1731037
PubChem ID:5351860
Update Time:2025-04-21
2-amino-N,N,N-trimethyl-9-pentofuranosyl-9H-purin-6-aminium Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-N,N,N-trimethyl-9-pentofuranosyl-9H-purin-6-aminium
- [2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium
- 68743-16-8
- NSC-66380
- 2-Imino-N,N,N-trimethyl-9-pentofuranosyl-3,9-dihydro-2H-purin-6-aminium chloride
- DTXSID10988441
- CHEMBL1991220
- NSC66380
-
- Inchi： 1S/C13H21N6O4.ClH/c1-19(2,3)11-7-10(16-13(14)17-11)18(5-15-7)12-9(22)8(21)6(4-20)23-12;/h5-6,8-9,12,20-22H,4H2,1-3H3,(H2,14,16,17);1H/q+1;/p-1
- InChI Key： OAIROYKFXZPWFH-UHFFFAOYSA-M
- SMILES： [Cl-].O1C(CO)C(C(C1N1C=NC2C(=NC(N)=NC1=2)[N+](C)(C)C)O)O
Computed Properties
- Exact Mass: 325.16263
- Monoisotopic Mass: 360.1312809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 435
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 140?2
Experimental Properties
- PSA: 139.54
2-amino-N,N,N-trimethyl-9-pentofuranosyl-9H-purin-6-aminium Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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