AG0032FG

325146-81-4 | (OC-6-22)-Bis(acetato-κO,κO')[(1R)-[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine-κP]]ruthenium

AG0032FG

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CAS Number	325146-81-4
Catalog Number	AG0032FG(AGN-PC-0R7TBU)
Chemical Name	(OC-6-22)-Bis(acetato-κO,κO')[(1R)-[1,1'-binaphthalene]-2,2'-diylbis[diphenylphosphine-κP]]ruthenium
IUPAC Name	acetic acid;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium
InChI	InChI=1S/C44H32P2.2C2H4O2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2(3)4;/h1-32H;2*1H3,(H,3,4);
InChI Key	XANQJWCSQJDBEA-UHFFFAOYSA-N
MDL Number	MFCD09753020
Molecular Formula	C48H38O4P2Ru
Molecular Weight	841.8304
SMILES	CC1=[O][Ru+2]23([P](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C7C(C=CC=C7)=C6C8=C(C=CC=C9)C9=CC=C8[P]2(C%10=CC=CC=C%10)C%11=CC=CC=C%11)([O-]C(C)=[O]3)[O-]1
Synonyms	(R)-Ru(OAc)2(BINAP), (S)-Ru(OAc)2(BINAP), 261948-85-0, 325146-81-4, DIACETATO[(R)-(+)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL]RUTHENIUM(II), Diacetato[(S)-()-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II), RU(OAC)2[(R)-BINAP], RU(OAC)2[(S)-BINAP], DIACETATO[(S)-(-)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL]RUTHENIUM(II), RU-BINAP, Ru(BINAP)(OAc)2, 104713-03-3, Bis(acetato)(binap) ruthenium, SC10141, DIACETATO[(R)-(-)-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL]RUTHENIUM(II), Diacetato[(R)-(+)-2,2 inverted exclamation marka-bis(diphenylphosphino)-1,1 inverted exclamation marka-binaphthyl]ruthenium(II), Diacetato[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II), ?Ru(OAc)2[(R)-binap], Diacetato[(S)-(-)-2,2 inverted exclamation marka-bis(diphenylphosphino)-1,1 inverted exclamation marka-binaphthyl]ruthenium(II), CID11083409, CID 11083409,

Complexity	875
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	844.145g/mol
Formal Charge	0
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	843.862g/mol
Monoisotopic Mass	844.145g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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