(1S,5S,6R)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic Acid Ethyl Ester - CAS 347378-67-0
Catalog: |
BB061101 |
Product Name: |
(1S,5S,6R)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic Acid Ethyl Ester |
CAS: |
347378-67-0 |
Synonyms: |
Ethyl (1S,5S,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate; (1S,5S,6R)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic Acid Ethyl Ester; (1R,6S)-2beta-Hydroxy-7-oxabicyclo[4.1.0]hepta-4-ene-4-carboxylic acid ethyl ester |
IUPAC Name: | ethyl (1S,5S,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylate |
Description: | (1S,5S,6R)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-ene-3-carboxylic Acid Ethyl Ester is an intermediate in the synthesis of neuraminidase inhibitors. |
Molecular Weight: | 184.19 |
Molecular Formula: | C9H12O4 |
Canonical SMILES: | CCOC(=O)C1=CC2C(O2)C(C1)O |
InChI: | InChI=1S/C9H12O4/c1-2-12-9(11)5-3-6(10)8-7(4-5)13-8/h4,6-8,10H,2-3H2,1H3/t6-,7-,8+/m0/s1 |
InChI Key: | LYOJCNWCUOSHLX-BIIVOSGPSA-N |
Solubility: | Acetonitrile, DCM, Methanol |
Appearance: | Light Yellow Colour Solid |
References: | Jarinrat K. et al. Bioorg. Med. Chem. Lett., 20, 2152 (2012). |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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