Structural Complex
Chemical ID: REJ
IUPAC Name: Tricarbonyl (L-serine) rhenium(I)
Formal Charge: 1
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: C6 H6 N O6 Re
Molecular weight: 374.322
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.02 InChI=1S/C3H7NO3.3CO.Re/c4-2(1-5)3(6)7;3*1-2;/h2,5H,1,4H2,(H,6,7);;;;/q;;;;+2/p-1/t2-;;;;/m0..../s1
InChIKey InChI 1.02 QKENEJKDFPJRFD-AIDJSRAFSA-M
SMILES_CANONICAL CACTVS 3.370 N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[C@@H]1CO
SMILES CACTVS 3.370 N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[CH]1CO
SMILES_CANONICAL OpenEye OEToolkits 1.7.0 C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O
SMILES OpenEye OEToolkits 1.7.0 C(C1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O
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