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Tetrakis[N-phthaloyl-(S)-phenylalaninato]dirhodium ethyl acetate adduct

Catalog Number
ACM131219551-2
Product Name
Tetrakis[N-phthaloyl-(S)-phenylalaninato]dirhodium ethyl acetate adduct
Structure
Tetrakis[N-phthaloyl-(S)-phenylalaninato]dirhodium ethyl acetate adduct
CAS
131219-55-1
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Synonyms
(2S)-2-(1,3-Dioxoisoindol-2-yl)-3-phenylpropanoate;ethyl acetate;rhodium(2+)
IUPAC Name
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate;ethyl acetate;rhodium(2+);
Molecular Weight
1471
Molecular Formula
C72H56N4O18Rh2
InChI
InChI=1S/4C17H13NO4.C4H8O2.2Rh/c4*19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11;1-3-6-4(2)5;/h4*1-9,14H,10H2,(H,21,22);3H2,1-2H3;/q;2*+2/p-4/t4*14-;/m0/s1
InChI Key
HPPXXODRLNJMGM-JBSHYJOISA-J
Complexity
489
Covalently-Bonded Unit Count
7
Defined Atom Stereocenter Count
4
Exact Mass
1470.16995
H-Bond Acceptor
18
Heavy Atom Count
96
Isomeric SMILES
CCOC(=O)C.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.C1=CC=C(C=C1)C[C@@H](C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.[Rh+2].[Rh+2]
Monoisotopic Mass
1470.16995
Rotatable Bond Count
14
Topological Polar Surface Area
336 Ų
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