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63425-04-7,MFCD28143302
Catalog No.:AA00EEVE

63425-04-7 | 2,3-dihydro-2-(N(7)-guanyl)-3-hydroxyaflatoxin B1

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Technical Information
Catalog Number:
AA00EEVE
Chemical Name:
2,3-dihydro-2-(N(7)-guanyl)-3-hydroxyaflatoxin B1
CAS Number:
63425-04-7
Molecular Formula:
C22H17N5O8
Molecular Weight:
479.3991
MDL Number:
MFCD28143302
SMILES:
COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C(C(OC5OC4=C1)N6C=NC7=C6C(=O)NC(=N7)N)O
Properties
Computed Properties
 
Complexity:
1080  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
-0.9  

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SDS
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Tags:63425-04-7 Molecular Formula|63425-04-7 MDL|63425-04-7 SMILES|63425-04-7 2,3-dihydro-2-(N(7)-guanyl)-3-hydroxyaflatoxin B1