Cas no 948840-25-3 (1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime)
948840-25-3 structure
Product Name:1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime
CAS No:948840-25-3
MF:C9H15N3O5
MW:245.232502222061
CID:834587
Update Time:2023-08-03
1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime Chemical and Physical Properties
Names and Identifiers
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- LX2931
- C5AGI979T7
- LX3305
- BDBM50018270
- LX 3305
- LX 2931
- 1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime
-
- Inchi： 1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,13-17H,3H2,1H3,(H,10,11)/b12-4+/t6-,7-,8-/m1/s1
- InChI Key： AMXVYJYMZLDINS-RSWLNLDNSA-N
- SMILES： O[C@H]([C@@H](CO)O)[C@@H](C1=CN=C(/C(/C)=N/O)N1)O
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 275
- Topological Polar Surface Area: 142
1-(4-(1,2,3,4-Tetrahydroxybutyl)-1H-imidazol-2-yl)ethanone oxime Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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