Cas no 63614-47-1 (Thymidine, 5'-(acetylamino)-5'-deoxy-)
63614-47-1 structure
Product Name:Thymidine, 5'-(acetylamino)-5'-deoxy-
CAS No:63614-47-1
MF:C12H17N3O5
MW:283.280483007431
CID:1666937
PubChem ID:510573
Update Time:2025-04-21
Thymidine, 5'-(acetylamino)-5'-deoxy- Chemical and Physical Properties
Names and Identifiers
-
- Thymidine, 5'-(acetylamino)-5'-deoxy-
- N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
- 63614-47-1
- N-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]acetamide
- DTXSID90333516
- N-[(2R,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-acetamide
- BDBM50132307
- N-{[(3S,2R,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methyl}acetamide
- CHEMBL322925
- AC1LAB0L
-
- Inchi： 1S/C12H17N3O5/c1-6-5-15(12(19)14-11(6)18)10-3-8(17)9(20-10)4-13-7(2)16/h5,8-10,17H,3-4H2,1-2H3,(H,13,16)(H,14,18,19)/t8-,9+,10+/m0/s1
- InChI Key： LZNCDIRWZZLADL-IVZWLZJFSA-N
- SMILES： O1[C@H](C[C@@H]([C@H]1CNC(C)=O)O)N1C(NC(C(C)=C1)=O)=O
Computed Properties
- Exact Mass: 283.11691
- Monoisotopic Mass: 283.11682065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 476
- 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: -1.2
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 107.97
Thymidine, 5'-(acetylamino)-5'-deoxy- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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