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Home  > 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, hydrate (2:1:2), (αS,3aR,7aS)-

AB18135

207844-01-7 | 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, hydrate (2:1:2), (αS,3aR,7aS)-

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% in stock $23.00 $17.00 -   +
5g 98% in stock $77.00 $54.00 -   +

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Description
Catalog Number: AB18135
Chemical Name: 2H-Isoindole-2-butanoic acid, octahydro-γ-oxo-α-(phenylmethyl)-, calcium salt, hydrate (2:1:2), (αS,3aR,7aS)-
CAS Number: 207844-01-7
Molecular Formula: C38H48CaN2O6
Molecular Weight: 668.8755
MDL Number: MFCD09955408
SMILES: O=C(N1C[C@@H]2[C@H](C1)CCCC2)C[C@@H](C(=O)[O-])Cc1ccccc1.O=C(N1C[C@@H]2[C@H](C1)CCCC2)C[C@@H](C(=O)[O-])Cc1ccccc1.[Ca+2]

 

Computed Properties
Complexity: 411  
Covalently-Bonded Unit Count: 3  
Defined Atom Stereocenter Count: 6  
Heavy Atom Count: 47  
Hydrogen Bond Acceptor Count: 6  
Rotatable Bond Count: 8  

 

 

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