Cas no 5174-30-1 (Threonine, 3-methyl-)
Threonine, 3-methyl- structure
Product Name:Threonine, 3-methyl-
CAS No:5174-30-1
MF:C5H11NO3
MW:133.145741701126
CID:385051
PubChem ID:277794
Update Time:2025-04-19
Threonine, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Threonine, 3-methyl-
- 2-Amino-3-hydroxy-3-methylbutyric acid
- 3-Hydroxy-DL-valine
- SY026435
- AKOS017343023
- L4786DPH4X
- 3-Hydroxy-3-methyl-2-aminobutanoic acid
- (R,S)-2-Amino-3-hydroxy-3-methylbutanoic acid
- 3-Methyl-DL-threonine
- NSC-126808
- SCHEMBL223813
- PB42135
- SY026436
- EN300-1168636
- DL-.BETA.-HYDROXYVALINE
- FT-0602673
- 2-amino-3-hydroxy-3-methylbutanoicacid
- (2S)-2-amino-3-hydroxy-3-methyl-butanoic acid
- 2280-28-6
- 2-amino-3-hydroxy-3-methylbutanoic acid
- DL-Threonine, 3-methyl-
- PD166000
- MFCD00145211
- A816363
- (R)-(-)-2-Amino-3-Hydroxy-3-Methylbutanoic Acid
- 2-amino-3-hydroxy-3-methyl-butanoic acid
- UNII-L4786DPH4X
- FT-0634179
- NSC126808
- MFCD00800535
- DL-beta-Hydroxyvaline
- SY026434
- FT-0649329
- 5174-30-1
- AS-31817
- MFCD00145237
-
- Inchi： 1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)
- InChI Key： LDRFQSZFVGJGGP-UHFFFAOYSA-N
- SMILES： OC(C)(C)C(C(=O)O)N
Computed Properties
- Exact Mass: 133.07400
- Monoisotopic Mass: 133.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 121
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.8
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 83.55000
- LogP: -0.13050
Threonine, 3-methyl- Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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