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91593-18-9

91593-18-9 | 3',5'-DI-O-ACETYL-5-(2-BROMOVINYL)-2'-DEOXYURIDINE

CAS No: 91593-18-9 Catalog No: AG006FW8 MDL No:

Product Description

Catalog Number:
AG006FW8
Chemical Name:
3',5'-DI-O-ACETYL-5-(2-BROMOVINYL)-2'-DEOXYURIDINE
CAS Number:
91593-18-9
Molecular Formula:
C15H17BrN2O7
Molecular Weight:
417.2087
IUPAC Name:
[(2R,3S,5R)-3-acetyloxy-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl acetate
InChI:
InChI=1S/C15H17BrN2O7/c1-8(19)23-7-12-11(24-9(2)20)5-13(25-12)18-6-10(3-4-16)14(21)17-15(18)22/h3-4,6,11-13H,5,7H2,1-2H3,(H,17,21,22)/b4-3+/t11-,12+,13+/m0/s1
InChI Key:
XOXDXFVBRHEPDN-PZQWPYDESA-N
SMILES:
BrC=Cc1cn([C@H]2C[C@@H]([C@H](O2)COC(=O)C)OC(=O)C)c(=O)[nH]c1=O

Properties

Complexity:
646  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Exact Mass:
416.022g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
417.212g/mol
Monoisotopic Mass:
416.022g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

Literature

Title Journal
Synthesis and in vitro anti-mycobacterial activity of 5-substituted pyrimidine nucleosides. Bioorganic & medicinal chemistry 20051215
Synthesis and antiviral activity assay of novel (E)-3',5'-diamino-5-(2-bromovinyl)-2',3',5'-trideoxyuridine. Nucleosides, nucleotides & nucleic acids 20030101
Synthesis and antiviral properties of (E)-5-(2-bromovinyl)-2'-deoxycytidine-related compounds. Journal of medicinal chemistry 19880101

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