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Home  > 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-

AA65359

147098-20-2 | 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-

Packsize Purity Availability Price Discounted Price    Quantity
5mg 98% in stock $11.00 $8.00 -   +
10mg 98% in stock $14.00 $10.00 -   +
50mg 98% in stock $17.00 $12.00 -   +
1g 98% in stock $28.00 $20.00 -   +
25g 98% in stock $273.00 $191.00 -   +

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Description
Catalog Number: AA65359
Chemical Name: 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-
CAS Number: 147098-20-2
Molecular Formula: C44H54CaF2N6O12S2
Molecular Weight: 1001.1374
MDL Number: MFCD04112702
SMILES: O[C@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C.O[C@H](C[C@H](CC(=O)[O-])O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C.[Ca+2]

 

Computed Properties
Complexity: 761  
Covalently-Bonded Unit Count: 3  
Defined Atom Stereocenter Count: 4  
Defined Bond Stereocenter Count: 2  
Heavy Atom Count: 67  
Hydrogen Bond Acceptor Count: 20  
Hydrogen Bond Donor Count: 4  
Rotatable Bond Count: 18  

 

 

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