Synonyms
N,N'-((1S,2S)-cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide); ROST LIGAND; (1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N'-BIS(2'-DIPHENYLPHOSPHINOBENZOYL); SC11303; (S,S)-DACH-phenyl Trost ligand, 95%; 169689-05-8; (1S,2S)-(-)-1,2-Diaminocyclohexane-N,N inverted exclamation marka-bis(2-diphenylphosphinobenzoyl); (1S,2S)-(-)-1,2-DIAMINOCYCLOHEXANE-N,N'-BIS(2-DIPHENYLPHOSPHINOBENZOYL); N,N'-((1S,2S)-cyclohexane-1,2-diyl)bis(2-(diphenylphosphanyl)benzamide); ZINC169731035;
IUPAC Name
2-diphenylphosphanyl-N-[(1S,2S)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide;
Molecular Weight
690.764g/mol
Molecular Formula
C44H40N2O2P2;
Canonical SMILES
C1CCC(C(C1)NC(=O)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7;
InChI
InChI=1S/C44H40N2O2P2/c47-43(37-27-13-17-31-41(37)49(33-19-5-1-6-20-33)34-21-7-2-8-22-34)45-39-29-15-16-30-40(39)46-44(48)38-28-14-18-32-42(38)50(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-14,17-28,31-32,39-40H,15-16,29-30H2,(H,45,47)(H,46,48)/t39-,40-/m0/s1;
InChI Key
AXMSEDAJMGFTLR-ZAQUEYBZSA-N;
Complexity
929
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
690.257g/mol
H-Bond Acceptor
2
H-Bond Donor
2
Heavy Atom Count
50
Monoisotopic Mass
690.257g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
58.2A^2
