Cas no 34917-27-6 (Butanedioic acid,2-fluoro-3-hydroxy-, (R*,R*)-(-)- (9CI))
34917-27-6 structure
Product Name:Butanedioic acid,2-fluoro-3-hydroxy-, (R*,R*)-(-)- (9CI)
CAS No:34917-27-6
MF:C4H5FO5
MW:152.077905416489
CID:310778
PubChem ID:161843
Update Time:2025-04-19
Butanedioic acid,2-fluoro-3-hydroxy-, (R*,R*)-(-)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-fluoro-3-hydroxy-, (R*,R*)-(-)- (9CI)
- (2R,3R)-2-fluoro-3-hydroxybutanedioic acid
- DTXSID40188472
- Butanedioic acid, 2-fluoro-3-hydroxy-, (R*,R*)-(-)-
- 2-Hydroxy-3-fluorobutanedioic acid
- 3-Fluoro-2-hydroxybutanedioic acid
- 34917-27-6
- 3-Fluoromalic acid
- 3-Fluoro-L-erythro-malate
-
- Inchi： 1S/C4H5FO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,(H,7,8)(H,9,10)/t1-,2+/m1/s1
- InChI Key： FJOQIMHGSNFURE-NCGGTJAESA-N
- SMILES： F[C@@H](C(=O)O)[C@@H](C(=O)O)O
Computed Properties
- Exact Mass: 152.01205
- Monoisotopic Mass: 152.012
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 156
- 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: -0.9
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- Density: 1.737
- Boiling Point: 330.1°Cat760mmHg
- Flash Point: 153.5°C
- Refractive Index: 1.49
- PSA: 94.83
Butanedioic acid,2-fluoro-3-hydroxy-, (R*,R*)-(-)- (9CI) Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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