Cas no 133697-51-5 (4-amino-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one)
![4-amino-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one structure](https://ossimg.kuujia.com/scimg/134000/133697-51-5x500.png)
133697-51-5 structure
Product Name:4-amino-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
CAS No:133697-51-5
MF:C11H17N3O4
MW:255.270382642746
CID:1233615
PubChem ID:453119
Update Time:2025-04-20
4-amino-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one Chemical and Physical Properties
Names and Identifiers
-
- 4-amino-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
- Cytidine, 2',3'-dideoxy-5-(methoxymethyl)-
- 2',3'-dideoxy-5-methoxymethylcytidine
- 2',3'-DIDEOXY-5-(METHOXYMETHYL)CYTIDINE
- AC1L9QRM
- CTK4B8761
- AG-D-68788
- Cytidine, 2',3'-dideoxy-5-(methoxymethyl)-; 2',3'-dideoxy-5-methoxymethylcytidine; 2',3'-DIDEOXY-5-(METHOXYMETHYL)CYTIDINE; AC1L9QRM; CTK4B8761; 2',3'-Dideoxy-5-methoxymethylcytidine; AG-D-68788;
- 133697-51-5
- DTXSID40158332
- 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methoxymethyl)pyrimidin-2-one
-
- Inchi： 1S/C11H17N3O4/c1-17-6-7-4-14(11(16)13-10(7)12)9-3-2-8(5-15)18-9/h4,8-9,15H,2-3,5-6H2,1H3,(H2,12,13,16)/t8-,9+/m0/s1
- InChI Key： DPICHXITSIHAOF-DTWKUNHWSA-N
- SMILES： O1[C@H](CO)CC[C@@H]1N1C(N=C(C(COC)=C1)N)=O
Computed Properties
- Exact Mass: 255.12190603g/mol
- Monoisotopic Mass: 255.12190603g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 394
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.7
- Topological Polar Surface Area: 97.4?2
4-amino-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
133697-51-5 (4-amino-1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one) Related Products
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