| CAS Number | 2074610-05-0 |
| Catalog Number | AG01FQZA(AGN-PC-3H5PB0) |
| Chemical Name | (Ra,S)-Ph-Bn-SIPHOX |
| IUPAC Name | [(3R)-4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-diphenylphosphane |
| InChI | InChI=1S/C39H34NOP/c1-4-12-28(13-5-1)26-31-27-41-38(40-31)34-20-10-14-29-22-24-39(36(29)34)25-23-30-15-11-21-35(37(30)39)42(32-16-6-2-7-17-32)33-18-8-3-9-19-33/h1-21,31H,22-27H2/t31-,39+/m0/s1 |
| InChI Key | WDIPXXMCRPGMIB-RUCSKDCOSA-N |
| MDL Number | MFCD17018764 |
| Molecular Formula | C39H34NOP |
| Molecular Weight | 563.6671 |
| SMILES | C12=CC=CC(C3=N[C@H](CC4=CC=CC=C4)CO3)=C1[C@@]5(CCC6=C5C(P(C7=CC=CC=C7)C8=CC=CC=C8)=CC=C6)CC2 |
| Synonyms | (Ra,S)-Ph-Bn-SIPHOX,
(R)-(+)-7-[4(S)-(Benzyl)oxazol-2-yl]-7'-diphenylphosphino-2,2,3,3-tetrahydro-1,1-spirobiindane,
2074610-05-0,
|
| Complexity | 913 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 563.237802g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 563.7g/mol |
| Monoisotopic Mass | 563.237802g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 21.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number