| CAS Number | 1040274-12-1 |
| Catalog Number | AG01DH7Z |
| Chemical Name | (SA,S)-DTB-Ph-SIPHOX |
| IUPAC Name | bis(3,5-ditert-butylphenyl)-[(3S)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane |
| InChI | InChI=1S/C54H64NOP/c1-50(2,3)38-28-39(51(4,5)6)31-42(30-38)57(43-32-40(52(7,8)9)29-41(33-43)53(10,11)12)46-23-17-21-37-25-27-54(48(37)46)26-24-36-20-16-22-44(47(36)54)49-55-45(34-56-49)35-18-14-13-15-19-35/h13-23,28-33,45H,24-27,34H2,1-12H3/t45-,54+/m1/s1 |
| InChI Key | JIDAICRIWADNJH-JWRVDXLXSA-N |
| MDL Number | MFCD31807293 |
| Molecular Formula | C54H64NOP |
| Molecular Weight | 774.0658 |
| SMILES | CC(c1cc(cc(c1)C(C)(C)C)P(c1cccc2c1[C@@]1(CCc3c1c(ccc3)C1=N[C@H](CO1)c1ccccc1)CC2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C |
| Synonyms | (Sa,S)-DTB-Ph-SIPHOX,
CS-0062228,
1040274-12-1,
|
| Complexity | 1300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 773.473g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 57 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 774.086g/mol |
| Monoisotopic Mass | 773.473g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 15.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number