| CAS Number | 1312713-89-5 |
| Catalog Number | AG009FI4(AGN-PC-0WQUOW) |
| Chemical Name | RuCl[(S)-daipena][(S)-xylbinap] |
| IUPAC Name | [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;chlororuthenium(1+);(2S)-1-(4-methoxybenzene-6-id-1-yl)-1-(4-methoxyphenyl)-3-methylbutane-1,2-diamine |
| InChI | InChI=1S/C52H48P2.C19H25N2O2.ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;/h9-32H,1-8H3;5-7,9-13,18H,20-21H2,1-4H3;1H;/q;-1;;+2/p-1/t;18-,19?;;/m.0../s1 |
| InChI Key | IQWRCNFONDXTCS-UCPQXOCLSA-M |
| MDL Number | MFCD28100836 |
| Molecular Formula | C71H73ClN2O2P2Ru |
| Molecular Weight | 1184.8220 |
| SMILES | [Cl-][Ru+2]123([C-]4=CC(OC)=CC=C4C(C5=CC=C(OC)C=C5)([NH2]1)C([NH2]2)C(C)C)[P](C=6C=C(C=C(C6)C)C)(C=7C=C(C=C(C7)C)C)C8=CC=C9C=CC=CC9=C8C=%10C=%11C=CC=CC%11C=CC%10[P]3(C=%12C=C(C=C(C%12)C)C)C=%13C=C(C=C(C%13)C)C |
| Synonyms | 1312713-89-5,
(S)-RUCY(TM)-XylBINAP,
MFCD28100836,
Chloro{(S)-(-)-2,2'-bis[di(3,5-xylyl) phosphino]-1,1'-binaphthyl}[(2S)- (+)-1-(4-methoxyphenyl)-1'-(4-methoxyphenyl-kC)-3-methyl-1,2-butanediamine]ruthenium(II),
(S)-RUCY(regR)-XylBINAP,
|
| Complexity | 1500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1184.388g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 79 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1184.845g/mol |
| Monoisotopic Mass | 1184.388g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 70.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number