Cas no 62396-87-6 (9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)-)
62396-87-6 structure
Product Name:9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)-
CAS No:62396-87-6
MF:C11H13ClN4O
MW:252.700120687485
CID:446372
PubChem ID:71386836
Update Time:2025-04-19
9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)-
- 6-chloro-9-(5,5-dimethyloxolan-2-yl)purine
- DTXSID00808987
- 6-Chloro-9-(5,5-dimethyloxolan-2-yl)-9H-purine
- 6-Chloro-9-(5,5-dimethyltetrahydrofuran-2-yl)-9H-purine
- 62396-87-6
-
- Inchi: 1S/C11H13ClN4O/c1-11(2)4-3-7(17-11)16-6-15-8-9(12)13-5-14-10(8)16/h5-7H,3-4H2,1-2H3
- InChI Key: NPQNBBUVMZQOKR-UHFFFAOYSA-N
- SMILES: ClC1C2=C(N=CN=1)N(C=N2)C1CCC(C)(C)O1
Computed Properties
- Exact Mass: 252.07799
- Monoisotopic Mass: 252.0777887g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 52.8?2
Experimental Properties
- PSA: 52.83
9H-Purine, 6-chloro-9-(tetrahydro-5,5-dimethyl-2-furanyl)- Related Literature
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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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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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