(R)-2-Benzyl-3-hydroxypropyl Acetate - CAS 110270-49-0
Catalog: |
BB073696 |
Product Name: |
(R)-2-Benzyl-3-hydroxypropyl Acetate |
CAS: |
110270-49-0 |
Synonyms: |
(2R)-2-(phenylmethyl)-1,3-propanediol 1-Acetate; (R)-2-(Phenylmethyl)-1,3-propanediol Monoacetate |
IUPAC Name: | [(2R)-2-benzyl-3-hydroxypropyl] acetate |
Description: | (R)-2-Benzyl-3-hydroxypropyl Acetate is an intermediate in the synthesis of Retorphan (R278500), a powerful and selective inhibitors of neprilysin and are being developed as therapeutic agents. Retorphan behave as the prodrug of the enantiomers of Thiorphan (T369500). |
Molecular Weight: | 208.25 |
Molecular Formula: | C12H16O3 |
Canonical SMILES: | CC(=O)OCC(CC1=CC=CC=C1)CO |
InChI: | InChI=1S/C12H16O3/c1-10(14)15-9-12(8-13)7-11-5-3-2-4-6-11/h2-6,12-13H,7-9H2,1H3/t12-/m1/s1 |
InChI Key: | CBYFARAUSMBSDY-GFCCVEGCSA-N |
Solubility: | Chloroform, DCM, Ethyl Acetate, Methanol |
Appearance: | Colourless Oil |
References: | Monteil, T., et al. Synth. Commun., 31, 211 (2001). |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.109944368 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.109944368 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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