| CAS Number | 1884457-40-2 |
| Catalog Number | AG01FQYX(AGN-PC-3H5PAI) |
| Chemical Name | (R)-1-(3-(Tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-4-yl)-2,5-diphenyl-1H-pyrrole, 97% (>99% ee) |
| IUPAC Name | 1-[(3R)-3-tert-butyl-2H-1,3-benzoxaphosphol-4-yl]-2,5-diphenylpyrrole |
| InChI | InChI=1S/C27H26NOP/c1-27(2,3)30-19-29-25-16-10-15-24(26(25)30)28-22(20-11-6-4-7-12-20)17-18-23(28)21-13-8-5-9-14-21/h4-18H,19H2,1-3H3/t30-/m0/s1 |
| InChI Key | KJXNLTFQUPGVAM-PMERELPUSA-N |
| MDL Number | MFCD31707609 |
| Molecular Formula | C27H26NOP |
| Molecular Weight | 411.4752 |
| SMILES | CC([P@]1COC2=CC=CC(N3C(C4=CC=CC=C4)=CC=C3C5=CC=CC=C5)=C12)(C)C |
| Synonyms | 1884457-40-2,
(R)-1-(3-(tert-butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-4-yl)-2,5-diphenyl-1H-pyrrole,
(R)-1-(3-(tert-Butyl)-2,3-dihydrobenzo[d][1,3]oxaphosphol-4-yl)-2,5-diphenyl-1H-pyrrole@CRLF1884457-40-2,
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| Complexity | 536 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.175201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 411.5g/mol |
| Monoisotopic Mass | 411.175201g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 14.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
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Certificate of Analysis
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