| CAS Number | 1384974-38-2 |
| Catalog Number | AG009E3I(AGN-PC-0WQURO) |
| Chemical Name | (R)-Rucy(regr)-xylbinap |
| IUPAC Name | [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;chlororuthenium(1+);(2R)-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.1../s1 |
| InChI Key | IQWRCNFONDXTCS-LOJLRZLHSA-M |
| MDL Number | MFCD20261161 |
| Molecular Formula | C71H73ClN2O2P2Ru |
| Molecular Weight | 1184.8220 |
| SMILES | Cl[Ru]12(C3=CC(OC)=CC=C3C4(C5=CC=C(OC)C=C5)[NH2]2)([NH2][C@]4([H])C(C)C)[P](C6=CC(C)=CC(C)=C6)(C7=CC(C)=CC(C)=C7)C8=C(C9=C(C=CC=C%10)C%10=CC=C9[P](C%11=CC(C)=CC(C)=C%11)1C%12=CC(C)=CC(C)=C%12)C%13=C(C=CC=C%13)C=C8 |
| Synonyms | 1384974-38-2,
(R)-RUCY(TM)-XylBINAP,
MFCD20261161,
Chloro{(R)-(+)-2,2'-bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl} [(2R)-(-)-1-(4-methoxyphenyl)- 1(R) (4-methoxyphenyl-kC)-3- methyl-1,2-butanediamine]ruthenium(II),
(R)-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