Cas no 114892-46-5 ((2R,3R)-2-Methyl-3-hydroxybuttersaeure)
114892-46-5 structure
Product Name:(2R,3R)-2-Methyl-3-hydroxybuttersaeure
CAS No:114892-46-5
MF:C5H10O3
MW:118.131102085114
CID:2036501
Update Time:2025-04-21
(2R,3R)-2-Methyl-3-hydroxybuttersaeure Chemical and Physical Properties
Names and Identifiers
-
- (2R,3R)-2-Methyl-3-hydroxybuttersaeure
- (2R,3R)-3-hydroxy-2-methylbutyric acid
- (2R,3R)-nilic acid
- 3(R)-hydroxy-2(R)-methylbutyric acid
- 3-hydroxy-2-methylbutyric acid
- 3R-hydroxy-2R-methylbutanoic acid
- nilic acid
-
- Inchi： 1S/C5H10O3/c1-3(4(2)6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t3-,4-/m1/s1
- InChI Key： VEXDRERIMPLZLU-QWWZWVQMSA-N
- SMILES： C[C@@H](O)[C@@H](C)C(O)=O
Computed Properties
- Exact Mass: 118.063
- Monoisotopic Mass: 118.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 89.7
- 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
- Topological Polar Surface Area: 57.5A^2
- XLogP3: -0.206
(2R,3R)-2-Methyl-3-hydroxybuttersaeure Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
114892-46-5 ((2R,3R)-2-Methyl-3-hydroxybuttersaeure) Related Products
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