| CAS Number | 945551-94-0 |
| Catalog Number | AG01DH9J |
| Chemical Name | (1R,2S)-N1,N2-bis[(1S)-2-hydroxy-1-phenylethyl]-3,3-dimethylcyclopropane-1,2-dicarboxamide |
| IUPAC Name | 1-N,2-N-bis(2-hydroxy-1-phenylethyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide |
| InChI | InChI=1S/C23H28N2O4/c1-23(2)19(21(28)24-17(13-26)15-9-5-3-6-10-15)20(23)22(29)25-18(14-27)16-11-7-4-8-12-16/h3-12,17-20,26-27H,13-14H2,1-2H3,(H,24,28)(H,25,29) |
| InChI Key | DNHVTGGQLDMTEX-UHFFFAOYSA-N |
| MDL Number | MFCD31803776 |
| Molecular Formula | C23H28N2O4 |
| Molecular Weight | 396.4794 |
| SMILES | CC1(C)[C@@H]([C@@H]1C(=O)N[C@H](CO)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 |
| Synonyms | (1S,2R)-N,N inverted exclamation markabis((S)-2-hydroxy-1-phenylethyl)-3,3-dimethylcyclopropane-1,2-dicarboxamide,
945551-94-0,
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| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 396.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 396.487g/mol |
| Monoisotopic Mass | 396.205g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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