Cas no 53294-13-6 ( )
structure
Product Name:
CAS No:53294-13-6
MF:C11H17N3O6
MW:287.269182920456
CID:938278
PubChem ID:323807
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-4-carboxylic acid, 5-amino-1-.α.-D-xylofuranosyl-, ethyl ester
- AC1L897W
- AG-G-22469
- CTK5B2741
- NSC286323
- NSC-313671
- NSC-286625
- NSC286625
- NSC-286626
- 64239-99-2
- DTXSID10967877
- Ethyl 5-amino-1-pentofuranosyl-1H-imidazole-4-carboxylate
- Ethyl 5-amino-1-(3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-imidazole-4-carboxylate
- 53294-13-6
- 61134-00-7
- NSC286626
- NSC313671
-
-
- Inchi： 1S/C11H17N3O6/c1-2-19-11(18)6-9(12)14(4-13-6)10-8(17)7(16)5(3-15)20-10/h4-5,7-8,10,15-17H,2-3,12H2,1H3
- InChI Key： CIOFMTDTBDVWFN-UHFFFAOYSA-N
- SMILES： O1C(CO)C(C(C1N1C=NC(C(=O)OCC)=C1N)O)O
Computed Properties
- Exact Mass: 287.11200
- Monoisotopic Mass: 287.11173527g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 357
- 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: -0.8
- Topological Polar Surface Area: 140?2
Experimental Properties
- PSA: 140.06000
- LogP: -1.16530
Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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