Cas no 79617-28-0 (L-allo-Threoninemethylester)
L-allo-Threoninemethylester structure
Product Name:L-allo-Threoninemethylester
CAS No:79617-28-0
MF:C5H11NO3
MW:133.145741701126
CID:984785
PubChem ID:324007
Update Time:2025-04-20
L-allo-Threoninemethylester Chemical and Physical Properties
Names and Identifiers
-
- L-allo-Threoninemethylester
- CHEBI:184044
- NS00004606
- AKOS009159377
- MFCD09250866
- 2-amino-3-hydroxybutanoic acid methyl ester
- 2065185-81-9
- NSC287508
- Methyl 2-amino-3-hydroxybutanoate
- A821912
- dl-Threonine, methyl ester
- SCHEMBL158741
- 79617-28-0
- Methyl 2-amino-3-hydroxybutanoate #
- EN300-61569
- dl-threonine methyl ester
- Methyl2-amino-3-hydroxybutanoate
- NSC-287508
- FT-0628025
- SY263671
- methyl (2R,3R)-2-amino-3-hydroxy-butanoate
- L-Allo-threonine methyl ester
- D-Threonine, methyl ester
- methyl (2S,3R)-2-amino-3-hydroxy-butanoate
- 53216-06-1
-
- Inchi： 1S/C5H11NO3/c1-3(7)4(6)5(8)9-2/h3-4,7H,6H2,1-2H3
- InChI Key： TVHCXXXXQNWQLP-UHFFFAOYSA-N
- SMILES： OC(C)C(C(=O)OC)N
Computed Properties
- Exact Mass: 133.07389321g/mol
- Monoisotopic Mass: 133.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 104
- 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
- Topological Polar Surface Area: 72.6?2
Experimental Properties
- PSA: 72.55000
- LogP: -0.43220
L-allo-Threoninemethylester Related Literature
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
79617-28-0 (L-allo-Threoninemethylester) Related Products
- 4144-02-9(O-Methyl-L-threonine)
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- 17012-42-9((2S,3R)-3-Acetoxy-2-aminobutanoic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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