(R,S)-[1-(Benzyloxy)-2-oxo-3-azetidinyl]carbamic Acid Benzyl Ester - CAS 1246814-58-3
Catalog: |
BB073536 |
Product Name: |
(R,S)-[1-(Benzyloxy)-2-oxo-3-azetidinyl]carbamic Acid Benzyl Ester |
CAS: |
1246814-58-3 |
Synonyms: |
[(3R,S)-2-Oxo-1-(phenylmethoxy)-3-azetidinyl]carbamic Acid Phenylmethyl Ester |
IUPAC Name: | benzyl N-(2-oxo-1-phenylmethoxyazetidin-3-yl)carbamate |
Description: | Intermediate for synthesis of D,L-Alanosine. |
Molecular Weight: | 326.35 |
Molecular Formula: | C18H18N2O4 |
Canonical SMILES: | C1C(C(=O)N1OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C18H18N2O4/c21-17-16(11-20(17)24-13-15-9-5-2-6-10-15)19-18(22)23-12-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22) |
InChI Key: | BOQJARCVFUIRKV-UHFFFAOYSA-N |
Solubility: | Ethyl Acetate |
Appearance: | White Solid |
Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 326.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 326.12665706 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 67.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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