| Catalog Number |
ACM929896286-1 |
| CAS |
929896-28-6 |
| 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 |
| Heavy Atom Count |
34 |
| Hydrogen Bond Acceptor Count |
10 |
| Hydrogen Bond Donor Count |
1 |
| 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 |
