| CAS Number | 117833-99-5 |
| Catalog Number | AG0097I2(AGN-PC-0PB2C4) |
| Chemical Name | (-)-(S)-3-Benzyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylate |
| IUPAC Name | 3-O-benzyl 4-O-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate |
| InChI | InChI=1S/C15H19NO5/c1-15(2)16(12(10-21-15)13(17)19-3)14(18)20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1 |
| InChI Key | NOPUZHXGIBFGAH-LBPRGKRZSA-N |
| MDL Number | MFCD11042240 |
| Molecular Formula | C15H19NO5 |
| Molecular Weight | 293.3151 |
| SMILES | CC1(N([C@@H](CO1)C(=O)OC)C(=O)OCc2ccccc2)C |
| Synonyms | 117833-99-5,
(S)-3-BENZYL 4-METHYL 2,2-DIMETHYLOXAZOLIDINE-3,4-DICARBOXYLATE,
ZINC34215629,
(-)-(S)-3-Benzyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylate,
2,2-Dimethyloxazolidine-3,4alpha-dicarboxylic acid 3-benzyl 4-methyl ester,
CID10968353,
(S)-3-benzyl4-methyl2,2-dimethyloxazolidine-3,4-dicarboxylate,
Benzyl Methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.319g/mol |
| Monoisotopic Mass | 293.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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