| CAS Number | 1809609-52-6 |
| Catalog Number | AG01FQZ8(AGN-PC-3H5PAP) |
| Chemical Name | (R)-(+)-7-[N-(2-Benzylthio)ethylamino]-7'-[bis(3,5-di-t-butylphenyl)phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobindane, 97+% (>99% ee) [(R)-DTB-SpiroSAP-Bn] |
| IUPAC Name | (3R)-N-(2-benzylsulfanylethyl)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-amine |
| InChI | InChI=1S/C54H68NPS/c1-50(2,3)40-30-41(51(4,5)6)33-44(32-40)56(45-34-42(52(7,8)9)31-43(35-45)53(10,11)12)47-23-17-21-39-25-27-54(49(39)47)26-24-38-20-16-22-46(48(38)54)55-28-29-57-36-37-18-14-13-15-19-37/h13-23,30-35,55H,24-29,36H2,1-12H3/t54-/m1/s1 |
| InChI Key | KCPKRTWDDWPCHY-AXAMJWTMSA-N |
| MDL Number | MFCD08742404 |
| Molecular Formula | C54H68NPS |
| Molecular Weight | 794.1632 |
| SMILES | CC(c1cc(cc(c1)C(C)(C)C)P(c1cccc2c1[C@]1(CCc3c1c(NCCSCc1ccccc1)ccc3)CC2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C |
| Synonyms | SCHEMBL19971114,
1809609-52-6,
|
| Complexity | 1180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 793.481009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 57 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 794.2g/mol |
| Monoisotopic Mass | 793.481009g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 16.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number