Methyl (S)-3,4-Dihydroxybutanoate - CAS 90414-36-1
Catalog: |
BB039846 |
Product Name: |
Methyl (S)-3,4-Dihydroxybutanoate |
CAS: |
90414-36-1 |
Synonyms: |
(3S)-3,4-dihydroxybutanoic acid methyl ester; methyl (3S)-3,4-dihydroxybutanoate |
IUPAC Name: | methyl (3S)-3,4-dihydroxybutanoate |
Description: | Methyl (S)-3,4-Dihydroxybutanoate (CAS# 90414-36-1 ) is a useful research chemical. |
Molecular Weight: | 134.13 |
Molecular Formula: | C5H10O4 |
Canonical SMILES: | COC(=O)CC(CO)O |
InChI: | InChI=1S/C5H10O4/c1-9-5(8)2-4(7)3-6/h4,6-7H,2-3H2,1H3/t4-/m0/s1 |
InChI Key: | KCKWOJWPEXHLOQ-BYPYZUCNSA-N |
MDL: | MFCD12912145 |
LogP: | -1.09730 |
Publication Number | Title | Priority Date |
US-2014243501-A1 | Histone deacetylase inhibitors and synthetic method thereof and use thereof in manufacture of medicaments | 20111117 |
US-2009124681-A1 | Beta-lactone compounds | 20071031 |
US-8258321-B2 | Beta-lactone compounds | 20071031 |
EP-2195282-A2 | Accelerated reduction of organic substances with boranes | 20070921 |
US-2009082568-A1 | Accelerated reduction of organic substances with boranes | 20070921 |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.0579088 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.0579088 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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