Cas no 24885-51-6 (5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione)
24885-51-6 structure
Product Name:5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione
CAS No:24885-51-6
MF:C12H18N2O7
MW:302.280523777008
CID:272471
Update Time:2023-08-03
5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione,5-ethyl-1-b-D-glucopyranosyl-
- 5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione
- 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-beta-D-glucopyranosyl-
- 5-Ethyl-1-hexopyranosyl-4-hydroxypyrimidin-2(1H)-one
-
- Inchi： 1S/C12H18N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h3,6-9,11,15-18H,2,4H2,1H3,(H,13,19,20)/t6-,7-,8+,9-,11?/m1/s1
- InChI Key： NTBKDLSMBLKAOT-OGADHKOYSA-N
- SMILES： O1[C@H](CO)[C@H]([C@@H]([C@H](C1N1C(NC(C(CC)=C1)=O)=O)O)O)O
Computed Properties
- Exact Mass: 302.111
- Monoisotopic Mass: 302.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 467
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.8
- Topological Polar Surface Area: 140
Experimental Properties
- Density: 1.541
- Refractive Index: 1.613
5-Ethyl-1-beta-D-glucopyranosyl-2,4(1H,3H)-pyrimidinedione Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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