| CAS Number | 944450-50-4 |
| Catalog Number | AG003COB(AGN-PC-0W41N8) |
| Chemical Name | (OC-6-22)-Bis(acetato-κO,κO′)[1,1′-(4S)-[4,4′-bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis(3,5-dimethylphenyl)phosphine-κP]]ruthenium |
| IUPAC Name | acetic acid;[4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium |
| InChI | InChI=1S/C46H44O4P2.2C2H4O2.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;2*1-2(3)4;/h9-24H,25-26H2,1-8H3;2*1H3,(H,3,4); |
| InChI Key | DQDVNUGYAGPIFX-UHFFFAOYSA-N |
| MDL Number | MFCD09753025 |
| Molecular Formula | C50H50O8P2Ru |
| Molecular Weight | 941.9447 |
| SMILES | Cc1cc(cc(c1)[P]2(c3ccc4c(c3-c5c(ccc6c5OCO6)[P]([Ru+2]278([O-]C(=O7)C)[O-]C(=O8)C)(c9cc(cc(c9)C)C)c1cc(cc(c1)C)C)OCO4)c1cc(cc(c1)C)C)C |
| Synonyms | MFCD09753025,
944450-50-4,
944450-49-1,
Diacetato{(S)-(-)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}ruthenium(II),
Ru(OAc)2[(S)-dm-segphos,
DTXSID20746231,
PUBCHEM_71310556,
Ru(OAc)2[(R)-dm-segphos(R)],
Diacetato{(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}ruthenium(II),
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| Complexity | 1020 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 944.218g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 61 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 943.976g/mol |
| Monoisotopic Mass | 944.218g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number