Cas no 111496-01-6 (1,2,4-Triazine-3,5(2H,4H)-dione,2-(3-azido-2,3-dideoxy-b-D-erythro-pentofuranosyl)-6-methyl-)
111496-01-6 structure
Product Name:1,2,4-Triazine-3,5(2H,4H)-dione,2-(3-azido-2,3-dideoxy-b-D-erythro-pentofuranosyl)-6-methyl-
CAS No:111496-01-6
MF:C9H12N6O4
MW:268.229380607605
CID:188453
PubChem ID:451847
Update Time:2025-04-19
1,2,4-Triazine-3,5(2H,4H)-dione,2-(3-azido-2,3-dideoxy-b-D-erythro-pentofuranosyl)-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazine-3,5(2H,4H)-dione,2-(3-azido-2,3-dideoxy-b-D-erythro-pentofuranosyl)-6-methyl-
- 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(3-azido-2,3-dideoxy-beta-D-erythro-pentofuranosyl)-6-methyl-
- 2-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazine-3,5-dione
- 3'-N3-6-Aza-dT
- SCHEMBL15642975
- 3'-Azido-3'-deoxy-6-azathymidine
- CHEMBL3392148
- 2-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione
- DTXSID70149672
- 111496-01-6
-
- Inchi： 1S/C9H12N6O4/c1-4-8(17)11-9(18)15(13-4)7-2-5(12-14-10)6(3-16)19-7/h5-7,16H,2-3H2,1H3,(H,11,17,18)/t5-,6+,7+/m0/s1
- InChI Key： MACMXKSWRALLJO-RRKCRQDMSA-N
- SMILES： O1[C@H](C[C@@H]([C@H]1CO)N=[N+]=[N-])N1C(NC(C(C)=N1)=O)=O
Computed Properties
- Exact Mass: 268.09200289g/mol
- Monoisotopic Mass: 268.09200289g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 485
- 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: -0.3
- Topological Polar Surface Area: 106?2
1,2,4-Triazine-3,5(2H,4H)-dione,2-(3-azido-2,3-dideoxy-b-D-erythro-pentofuranosyl)-6-methyl- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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