Cas no 100244-27-7 (1,2,4-Triazine-3,5(2H,4H)-dione,2-(2-deoxy-b-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)-)
100244-27-7 structure
Product Name:1,2,4-Triazine-3,5(2H,4H)-dione,2-(2-deoxy-b-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)-
CAS No:100244-27-7
MF:C10H12F3N3O5
MW:311.214592933655
CID:145439
PubChem ID:512678
Update Time:2025-04-19
1,2,4-Triazine-3,5(2H,4H)-dione,2-(2-deoxy-b-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazine-3,5(2H,4H)-dione,2-(2-deoxy-b-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)-
- 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2,2-trifluoroethyl)-1,2,4-triazine-3,5-dione
- 100244-27-7
- DTXSID40143061
- 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine
- 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(2,2,2-trifluoroethyl)-1,2,4-triazine-3,5-dione
-
- Inchi： 1S/C10H12F3N3O5/c11-10(12,13)2-4-8(19)14-9(20)16(15-4)7-1-5(18)6(3-17)21-7/h5-7,17-18H,1-3H2,(H,14,19,20)/t5-,6+,7+/m0/s1
- InChI Key： ZELMDIQXLJNQQP-RRKCRQDMSA-N
- SMILES： FC(CC1C(NC(N([C@H]2C[C@@H]([C@@H](CO)O2)O)N=1)=O)=O)(F)F
Computed Properties
- Exact Mass: 311.072905g/mol
- Monoisotopic Mass: 311.072905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 481
- 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
- Molecular Weight: 311.21g/mol
- XLogP3: -0.2
- Topological Polar Surface Area: 112?2
Experimental Properties
- Density: 1.86
- Refractive Index: 1.62
- PSA: 117.44000
- LogP: -1.32290
1,2,4-Triazine-3,5(2H,4H)-dione,2-(2-deoxy-b-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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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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