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23192-63-4,MFCD09839927
Catalog No.:AA006YAU
23192-63-4 | 5-Amino-1-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-imidazole-4-carbonitrile
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10mg
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100mg
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Technical Information
Catalog Number:
AA006YAU
Chemical Name:
5-Amino-1-(2',3',5'-tri-O-acetyl-β-D-ribofuranosyl)-imidazole-4-carbonitrile
CAS Number:
23192-63-4
Molecular Formula:
C15H18N4O7
Molecular Weight:
366.3260
MDL Number:
MFCD09839927
IUPAC Name:
[3,4-diacetyloxy-5-(5-amino-4-cyanoimidazol-1-yl)oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C15H18N4O7/c1-7(20)23-5-11-12(24-8(2)21)13(25-9(3)22)15(26-11)19-6-18-10(4-16)14(19)17/h6,11-13,15H,5,17H2,1-3H3
InChI Key:
KWUWYLFGHOSANL-UHFFFAOYSA-N
SMILES:
N#Cc1ncn(c1N)[C@@H]1O[C@@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)COC(=O)C
Properties
Computed Properties
 
Complexity:
618  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.118g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
366.33g/mol
Monoisotopic Mass:
366.118g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
23192-63-4 
[3,4-diacetyloxy-5-(5-amino-4-cyanoimidazol-1-yl)oxolan-2-yl]methyl acetate 
5-Amino-1-(2',3',5'-tri-O-acetyl- -D-ribofuranosyl)-imidazole-4-carbonitrile 
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