REJ

Tricarbonyl (L-serine) rhenium(I)

Created:2011-02-17
Last modified:  2011-02-17

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Chemical Details

Formal Charge1
Atom Count20
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0
2D diagram of REJ

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Chemical Component Summary

NameTricarbonyl (L-serine) rhenium(I)
FormulaC6 H6 N O6 Re
Molecular Weight374.322
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.370N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[CH]1CO
SMILESOpenEye OEToolkits1.7.0C(C1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O
Canonical SMILESCACTVS3.370 N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[C@@H]1CO
Canonical SMILESOpenEye OEToolkits1.7.0 C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O
InChIInChI1.02 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
InChIKeyInChI1.02 QKENEJKDFPJRFD-AIDJSRAFSA-M