Cas no 61133-96-8 ( )
structure
Product Name:
CAS No:61133-96-8
MF:C10H15N3O6
MW:273.242602586746
CID:954001
PubChem ID:323713
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- methyl 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxylate
- AC1L897W
- AG-G-22469
- CTK5B2741
- NSC286323
- DTXSID40314592
- 61133-96-8
- NSC-286323
-
-
- Inchi： 1S/C10H15N3O6/c1-18-10(17)5-8(11)13(3-12-5)9-7(16)6(15)4(2-14)19-9/h3-4,6-7,9,14-16H,2,11H2,1H3
- InChI Key： FSALOBZWHYICLM-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C=NC(C(=O)OC)=C1N)O)O
Computed Properties
- Exact Mass: 273.09615
- Monoisotopic Mass: 273.09608521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.2
- Topological Polar Surface Area: 140?2
Experimental Properties
- PSA: 140.06
- LogP: -1.55540
Related Literature
-
1. 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
-
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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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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