Cas no 98644-37-2 (D-Allothreonine, 4-ethoxy- (9CI))
98644-37-2 structure
Product Name:D-Allothreonine, 4-ethoxy- (9CI)
D-Allothreonine, 4-ethoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Allothreonine, 4-ethoxy- (9CI)
- 2-Amino-4-ethoxy-3-hydroxybutanoic acid
- CHEBI:173427
- D-Allothreonine, 4-ethoxy-
- DTXSID701311459
- 98644-37-2
-
- Inchi： 1S/C6H13NO4/c1-2-11-3-4(8)5(7)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m1/s1
- InChI Key： HGJWTABGNGOSDZ-RFZPGFLSSA-N
- SMILES： C(O)(=O)[C@@H]([C@H](O)COCC)N
Computed Properties
- Exact Mass: 163.08445790g/mol
- Monoisotopic Mass: 163.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.8
- Topological Polar Surface Area: 92.8?2
D-Allothreonine, 4-ethoxy- (9CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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