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99886-53-0,MFCD12197317
Catalog No.:AA003W3Q

99886-53-0 | (3S,4R)-Methyl 3-(4-chlorobenzoyl)-6-(4-chlorophenyl)-3,4,5-trihydroxy-6-oxohexanoate

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Purity
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Quantity
  
1g
≥ 95% (HPLC)
in stock  
$172.00   $121.00
- +
5g
≥ 95% (HPLC)
in stock  
$659.00   $462.00
- +
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Technical Information
Catalog Number:
AA003W3Q
Chemical Name:
(3S,4R)-Methyl 3-(4-chlorobenzoyl)-6-(4-chlorophenyl)-3,4,5-trihydroxy-6-oxohexanoate
CAS Number:
99886-53-0
Molecular Formula:
C20H18Cl2O7
Molecular Weight:
441.2587
MDL Number:
MFCD12197317
SMILES:
COC(=O)C[C@@](C(=O)c1ccc(cc1)Cl)([C@@H](C(C(=O)c1ccc(cc1)Cl)O)O)O
Properties
Computed Properties
 
Complexity:
598  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
9  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2  

Literature
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SDS
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Tags:99886-53-0 Molecular Formula|99886-53-0 MDL|99886-53-0 SMILES|99886-53-0 (3S,4R)-Methyl 3-(4-chlorobenzoyl)-6-(4-chlorophenyl)-3,4,5-trihydroxy-6-oxohexanoate