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97845-80-2
Catalog No.:AA01CBY1

97845-80-2 | 6H-Purin-6-one,9-[4-(acetyloxy)-3-(hydroxymethyl)butyl]-2-amino-1,9-dihydro-

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Technical Information
Catalog Number:
AA01CBY1
Chemical Name:
6H-Purin-6-one,9-[4-(acetyloxy)-3-(hydroxymethyl)butyl]-2-amino-1,9-dihydro-
CAS Number:
97845-80-2
Molecular Formula:
C12H17N5O4
Molecular Weight:
295.2945
SMILES:
OCC(CCn1cnc2c1nc(N)[nH]c2=O)COC(=O)C
Properties
Computed Properties
 
Complexity:
441  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-1.4  

Literature
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SDS
Tags:97845-80-2 Molecular Formula|97845-80-2 MDL|97845-80-2 SMILES|97845-80-2 6H-Purin-6-one,9-[4-(acetyloxy)-3-(hydroxymethyl)butyl]-2-amino-1,9-dihydro-