Synonyms
(4S)-2-[2,4-Dimethyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-6-id-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;rhodium(3+);diacetate;hydrate
IUPAC Name
(4S)-2-[2,4-dimethyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzene-6-id-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;rhodium(3+);diacetate;hydrate;
Molecular Weight
566.46
Molecular Formula
C24H35N2O7Rh
Canonical SMILES
CC1=CC(=C([C-]=C1C2=NC(CO2)C(C)C)C3=NC(CO3)C(C)C)C.CC(=O)[O-].CC(=O)[O-].O.[Rh+3]
InChI
InChI=1S/C20H27N2O2.2C2H4O2.H2O.Rh/c1-11(2)17-9-23-19(21-17)15-8-16(14(6)7-13(15)5)20-22-18(10-24-20)12(3)4;2*1-2(3)4;/h7,11-12,17-18H,9-10H2,1-6H3;2*1H3,(H,3,4);1H2;/q-1;+3/p-2/t17-,18-;/m1/s1
InChI Key
OQNBPDKKWBPKGQ-VKBKZCJQSA-L
Purity
98%+
Appearance
Light yellow to yellow to orange powder to crystal
Complexity
653
Covalently-Bonded Unit Count
5
Defined Atom Stereocenter Count
2
Exact Mass
566.14992
H-Bond Acceptor
10
H-Bond Donor
1
Heavy Atom Count
34
Isomeric SMILES
CC1=CC(=C([C-]=C1C2=N[C@H](CO2)C(C)C)C3=N[C@H](CO3)C(C)C)C.CC(=O)[O-].CC(=O)[O-].O.[Rh+3]
Monoisotopic Mass
566.14992
Rotatable Bond Count
4
Topological Polar Surface Area
124 Ų
