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131673-41-1

131673-41-1 | Uridine, 2',3'-dideoxy-3'-(5-methyl-1H-1,2,3-triazol-1-yl)- (9CI)

CAS No: 131673-41-1 Catalog No: AG000ZK2 MDL No:

Product Description

Catalog Number:
AG000ZK2
Chemical Name:
Uridine, 2',3'-dideoxy-3'-(5-methyl-1H-1,2,3-triazol-1-yl)- (9CI)
CAS Number:
131673-41-1
Molecular Formula:
C12H15N5O4
Molecular Weight:
293.2786
IUPAC Name:
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(5-methyltriazol-1-yl)oxolan-2-yl]pyrimidine-2,4-dione
InChI:
InChI=1S/C12H15N5O4/c1-7-5-13-15-17(7)8-4-11(21-9(8)6-18)16-3-2-10(19)14-12(16)20/h2-3,5,8-9,11,18H,4,6H2,1H3,(H,14,19,20)/t8-,9+,11+/m0/s1
InChI Key:
DAVNGMDIOYZXMZ-IQJOONFLSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1n1nncc1C)n1ccc(=O)[nH]c1=O

Properties

Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
293.112g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
293.283g/mol
Monoisotopic Mass:
293.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

Literature

Title Journal
Synthesis and anti-human immunodeficiency virus (HIV-1) activity of 3'-deoxy-3'-(triazol-1-yl)thymidines and 2',3'-dideoxy-3'-(triazol-1-yl)uridines and inhibition of reverse transcriptase by their 5'-triphosphates. Chemical & pharmaceutical bulletin 19900901

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