Cas no 158647-63-3 (Hexanoic acid, 4,5,6-trihydroxy-2-oxo-)
158647-63-3 structure
Product Name:Hexanoic acid, 4,5,6-trihydroxy-2-oxo-
Hexanoic acid, 4,5,6-trihydroxy-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 4,5,6-trihydroxy-2-oxo-
- Hexanoic acid, 4,5,6-trihydroxy-2-oxo- (9CI)
- SCHEMBL13176443
- 158647-63-3
- PD041302
- 3-deoxyhex-2-ulosonic acid
- DTXSID60864781
-
- Inchi： 1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)
- InChI Key： WPAMZTWLKIDIOP-UHFFFAOYSA-N
- SMILES： OC(CC(C(=O)O)=O)C(CO)O
Computed Properties
- Exact Mass: 178.04773803g/mol
- Monoisotopic Mass: 178.04773803g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.3
- Topological Polar Surface Area: 115?2
Hexanoic acid, 4,5,6-trihydroxy-2-oxo- Related Literature
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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