Home Nitro Compounds 82628-87-3
82628-87-3,MFCD03788861
Catalog No.:AA00G521

82628-87-3 | 4’-O-(β-D-2”,3”,4”,6”-Tetraacetyl-glucopyranosyl)-4-nitrophloretin

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Technical Information
Catalog Number:
AA00G521
Chemical Name:
4’-O-(β-D-2”,3”,4”,6”-Tetraacetyl-glucopyranosyl)-4-nitrophloretin
CAS Number:
82628-87-3
Molecular Formula:
C29H31NO15
Molecular Weight:
633.5541
MDL Number:
MFCD03788861
SMILES:
CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Computed Properties
 
Complexity:
1070  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
15  
XLogP3:
2.8  

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Tags:82628-87-3 Molecular Formula|82628-87-3 MDL|82628-87-3 SMILES|82628-87-3 4’-O-(β-D-2”,3”,4”,6”-Tetraacetyl-glucopyranosyl)-4-nitrophloretin