Cas no 160801-75-2 ((2R,3S)-3-Amino-2-hydroxyhexanoic acid)
160801-75-2 structure
Product Name:(2R,3S)-3-Amino-2-hydroxyhexanoic acid
CAS No:160801-75-2
MF:C6H13NO3
MW:147.172322034836
CID:65568
PubChem ID:57370298
Update Time:2025-04-18
(2R,3S)-3-Amino-2-hydroxyhexanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2R,3S)-3-Amino-2-hydroxyhexanoic acid
- SCHEMBL15609557
- Hexanoic acid, 3-amino-2-hydroxy-, [R-(R*,S*)]- (9CI)
- 160801-75-2
-
- Inchi： 1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5+/m0/s1
- InChI Key： OIFGOYXLBOWNGQ-CRCLSJGQSA-N
- SMILES： O[C@@H](C(=O)O)[C@H](CCC)N
Computed Properties
- Exact Mass: 147.09000
- Monoisotopic Mass: 147.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 116
- 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: -2.7
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- Density: 1.185
- Boiling Point: 337 °C at 760 mmHg
- Flash Point: 157.6 °C
- Refractive Index: 1.498
- PSA: 83.55000
- LogP: 0.25960
(2R,3S)-3-Amino-2-hydroxyhexanoic acid Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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