Cas no 57064-86-5 (3-O-methoxyacetylthymidine)
3-O-methoxyacetylthymidine structure
Product Name:3-O-methoxyacetylthymidine
CAS No:57064-86-5
MF:C13H18N2O7
MW:314.291224002838
CID:946423
PubChem ID:6453430
Update Time:2025-04-19
3-O-methoxyacetylthymidine Chemical and Physical Properties
Names and Identifiers
-
- 3-O-methoxyacetylthymidine
- [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 2-methoxyacetate
- SCHEMBL8432694
- 57064-86-5
- 3-MAT
- Thymidine, 3'-(methoxyacetate)
- DTXSID80205677
-
- Inchi: 1S/C13H18N2O7/c1-7-4-15(13(19)14-12(7)18)10-3-8(9(5-16)21-10)22-11(17)6-20-2/h4,8-10,16H,3,5-6H2,1-2H3,(H,14,18,19)/t8-,9+,10+/m0/s1
- InChI Key: GLOVHDDZIBVWIO-IVZWLZJFSA-N
- SMILES: O1[C@H](C[C@@H]([C@H]1CO)OC(COC)=O)N1C(NC(C(C)=C1)=O)=O
Computed Properties
- Exact Mass: 314.11144
- Monoisotopic Mass: 314.11140092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 505
- 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: -0.9
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 114.4
3-O-methoxyacetylthymidine Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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5. 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
57064-86-5 (3-O-methoxyacetylthymidine) Related Products
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