| CAS Number | 1298133-21-7 |
| Catalog Number | AG01DH7J(AGN-PC-0WNQF1) |
| Chemical Name | (R)-DTB-SpiroPAP |
| IUPAC Name | (3R)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-N-(pyridin-2-ylmethyl)-3,3'-spirobi[1,2-dihydroindene]-4-amine |
| InChI | InChI=1S/C51H63N2P/c1-47(2,3)36-27-37(48(4,5)6)30-41(29-36)54(42-31-38(49(7,8)9)28-39(32-42)50(10,11)12)44-21-16-18-35-23-25-51(46(35)44)24-22-34-17-15-20-43(45(34)51)53-33-40-19-13-14-26-52-40/h13-21,26-32,53H,22-25,33H2,1-12H3/t51-/m1/s1 |
| InChI Key | NVZSJGBGNHNBSQ-NLXJDERGSA-N |
| MDL Number | MFCD30187942 |
| Molecular Formula | C51H63N2P |
| Molecular Weight | 735.0331 |
| SMILES | CC(c1cc(cc(c1)C(C)(C)C)P(c1cccc2c1[C@]1(CCc3c1c(ccc3)NCc1ccccn1)CC2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C |
| Synonyms | (R)-DTB-SpiroPAP,
1298133-21-7,
(R)-(+)-7-Bis(3,5-di-t-butylphenyl)phosphino-7'-[(pyridine-2-ylmethyl)amino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane,
MFCD30187942,
(R)-7-[Bis(3,5-di-tert-butylphenyl)phosphino]-7'-[(2-pyridyl)methylamino]-1,1'-spirobiindan,
(S)-(-)-7-Bis(3,5-di-t-butylphenyl)phosphino-7'-[(pyridine-2-ylmethyl)amino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane,
1415636-82-6,
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| Complexity | 1140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 734.473g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 54 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 735.053g/mol |
| Monoisotopic Mass | 734.473g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 14.6 |
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Certificate of Analysis
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