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Home Nitro Compounds 56964-73-9
56964-73-9,MFCD00005744
Catalog No.:AA00EF2D

56964-73-9 | S-(2-HYDROXY-5-NITROBENZYL)-6-THIOINOSINE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
As reported
2 weeks  
$874.00   $612.00
- +
25mg
As reported
2 weeks  
$1,300.00   $910.00
- +
50mg
As reported
2 weeks  
$1,818.00   $1,273.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00EF2D
Chemical Name:
S-(2-HYDROXY-5-NITROBENZYL)-6-THIOINOSINE
CAS Number:
56964-73-9
Molecular Formula:
C17H17N5O7S
Molecular Weight:
435.4112
MDL Number:
MFCD00005744
SMILES:
C1=CC(=C(C=C1[N+](=O)[O-])CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)O
Properties
Computed Properties
 
Complexity:
616  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
1.1  

Literature

Title: Constrained NBMPR analogue synthesis, pharmacophore mapping and 3D-QSAR modeling of equilibrative nucleoside transporter 1 (ENT1) inhibitory activity.

Journal: Bioorganic & medicinal chemistry 20080401

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Tags:56964-73-9 Molecular Formula|56964-73-9 MDL|56964-73-9 SMILES|56964-73-9 S-(2-HYDROXY-5-NITROBENZYL)-6-THIOINOSINE