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13639-54-8,MFCD08457771
Catalog No.:AA0011RP

13639-54-8 | β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-(O-ethyl carbonodithioate)

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500mg
1 week  
$233.00   $163.00
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1g
1 week  
$358.00   $250.00
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5g
1 week  
$1,224.00   $857.00
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10g
1 week  
$2,152.00   $1,507.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA0011RP
Chemical Name:
β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-(O-ethyl carbonodithioate)
CAS Number:
13639-54-8
Molecular Formula:
C17H24O10S2
Molecular Weight:
452.4965
MDL Number:
MFCD08457771
SMILES:
CCOC(=S)S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Computed Properties
 
Complexity:
638  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
12  
Rotatable Bond Count:
13  
XLogP3:
2.5  

Literature

Title: HIV-1 integrase pharmacophore: discovery of inhibitors through three-dimensional database searching.

Journal: Journal of medicinal chemistry 19970314

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Tags:13639-54-8 Molecular Formula|13639-54-8 MDL|13639-54-8 SMILES|13639-54-8 β-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-(O-ethyl carbonodithioate)