| CAS Number | 1298133-36-4 |
| Catalog Number | AG01DH7O(AGN-PC-0WNQF2) |
| Chemical Name | (R)-DTB-SpiroPAP-3-Me |
| IUPAC Name | (3R)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-N-[(3-methylpyridin-2-yl)methyl]-3,3'-spirobi[1,2-dihydroindene]-4-amine |
| InChI | InChI=1S/C52H65N2P/c1-34-17-16-26-53-44(34)33-54-43-20-14-18-35-22-24-52(46(35)43)25-23-36-19-15-21-45(47(36)52)55(41-29-37(48(2,3)4)27-38(30-41)49(5,6)7)42-31-39(50(8,9)10)28-40(32-42)51(11,12)13/h14-21,26-32,54H,22-25,33H2,1-13H3/t52-/m1/s1 |
| InChI Key | XDNYVKUMWMLBJV-OIVUAWODSA-N |
| MDL Number | MFCD30187941 |
| Molecular Formula | C52H65N2P |
| Molecular Weight | 749.0597 |
| SMILES | Cc1cccnc1CNc1cccc2c1[C@@]1(CC2)CCc2c1c(ccc2)P(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C |
| Synonyms | 1298133-36-4,
(R)-(+)-7-Bis(3,5-di-t-butylphenyl)phosphino-7'-[(3-methylpyridine-2-ylmethyl)amino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane,
MFCD30187941,
(R)-DTB-SpiroPAP-3-Me,
AKOS030529671,
(S)-(-)-7-Bis(3,5-di-t-butylphenyl)phosphino-7'-[(3-methylpyridine-2-ylmethyl)amino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane,
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| Complexity | 1170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 748.489g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 55 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 749.08g/mol |
| Monoisotopic Mass | 748.489g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 15 |
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Certificate of Analysis
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