Cas no 3413-97-6 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dihydroxybutanoic acid
- (+-)-threo-2,3-Dihydroxy-buttersaeure
- 2,3-Dihydroxybutyric acid
- 4-deoxy-DL-threonic acid
- 4-Desoxy-DL-threonsaeure
- 4-Desoxy-threonsaeure
- DL-threo-2.3-Dihydroxy-buttersaeure
- dl-Threo-dioxybuttersaeure
- CHEBI:86347
- 3413-97-6
- LMFA01050397
- NSC-181495
- AKOS006378224
- NSC-69870
- NCIOpen2_000377
- NSC181495
- DTXSID40862402
- SCHEMBL242912
- 2,3-dihydroxy-butanoic acid
- NSC69870
- NSC109150
- 4-deoxy-erythronic acid
- NSC-109150
- 759-06-8
- Q27159093
- NS00123254
-
-
- Inchi： 1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)
- InChI Key： LOUGYXZSURQALL-UHFFFAOYSA-N
- SMILES： OC(C)C(C(=O)O)O
Computed Properties
- Exact Mass: 120.04224
- Monoisotopic Mass: 120.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 90
- 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: -1.1
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
- LogP: -1.18730
Related Literature
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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