Cas no 81542-72-5 (3'-O-ethylthymidine)
3'-O-ethylthymidine structure
Product Name:3'-O-ethylthymidine
CAS No:81542-72-5
MF:C12H18N2O5
MW:270.281723499298
CID:1804061
PubChem ID:451832
Update Time:2025-04-21
3'-O-ethylthymidine Chemical and Physical Properties
Names and Identifiers
-
- 3'-O-ethylthymidine
- 1-[(2R,4S,5R)-4-ethoxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- 1-(4-Ethoxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
- 3'-Ethoxy-2',3'-dideoxythymidine
- SCHEMBL6248265
- BDBM50028574
- 3'-OEt-ddT
- Thymidine, 3'-O-ethyl-
- DTXSID00231195
- 81542-72-5
- 1-[(2R,4S,5R)-4-ethoxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
- CHEMBL23835
- CHEMBL3143685
- O-ethyldeoxythymidine
-
- Inchi： 1S/C12H18N2O5/c1-3-18-8-4-10(19-9(8)6-15)14-5-7(2)11(16)13-12(14)17/h5,8-10,15H,3-4,6H2,1-2H3,(H,13,16,17)/t8-,9+,10+/m0/s1
- InChI Key： KXGTYHLMWACQAG-IVZWLZJFSA-N
- SMILES： O1[C@H](C[C@@H]([C@H]1CO)OCC)N1C(NC(C(C)=C1)=O)=O
Computed Properties
- Exact Mass: 270.12157168g/mol
- Monoisotopic Mass: 270.12157168g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 409
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.4
- Topological Polar Surface Area: 88.1?2
3'-O-ethylthymidine Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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