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31528-53-7,MFCD20272861
Catalog No.:AA00ITU6

31528-53-7 | (2R,3R,4S,5R)-2-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
500mg
>95%
1 week  
$589.00   $412.00
- +
1g
>95%
1 week  
$813.00   $569.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ITU6
Chemical Name:
(2R,3R,4S,5R)-2-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS Number:
31528-53-7
Molecular Formula:
C13H19N5O4S
Molecular Weight:
341.3861
MDL Number:
MFCD20272861
SMILES:
CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Computed Properties
 
Complexity:
409  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Literature

Title: Investigations into the origin of the molecular recognition of several adenosine deaminase inhibitors.

Journal: Journal of medicinal chemistry 20110113

Title: Nucleoside-5'-monophosphates as prodrugs of adenosine A2A receptor agonists activated by ecto-5'-nucleotidase.

Journal: Journal of medicinal chemistry 20091210

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SDS
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Tags:31528-53-7 Molecular Formula|31528-53-7 MDL|31528-53-7 SMILES|31528-53-7 (2R,3R,4S,5R)-2-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Catalog No.: AA00ITU6
31528-53-7,MFCD20272861
31528-53-7 | (2R,3R,4S,5R)-2-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Pack Size： 1mg
Purity： >95%
1 week
$299.00 $209.00
Pack Size： 5mg
Purity： >95%
1 week
$319.00 $223.00
Pack Size： 10mg
Purity： >95%
1 week
$358.00 $250.00
Pack Size： 500mg
Purity： >95%
1 week
$589.00 $412.00
Pack Size： 1g
Purity： >95%
1 week
$813.00 $569.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ITU6
Chemical Name: (2R,3R,4S,5R)-2-[6-amino-2-(propylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CAS Number: 31528-53-7
Molecular Formula: C13H19N5O4S
Molecular Weight: 341.3861
MDL Number: MFCD20272861
SMILES: CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity: 409  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 4  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 23  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Literature fold

Title: Investigations into the origin of the molecular recognition of several adenosine deaminase inhibitors.

Journal: Journal of medicinal chemistry20110113

Title: Nucleoside-5'-monophosphates as prodrugs of adenosine A2A receptor agonists activated by ecto-5'-nucleotidase.

Journal: Journal of medicinal chemistry20091210

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