Home Other Building Blocks 1,2,4-Triazin-5(2H)-one,3,4-dihydro-2-b-D-ribofuranosyl-3-thioxo-

1,2,4-Triazin-5(2H)-one,3,4-dihydro-2-b-D-ribofuranosyl-3-thioxo-

CAS No.:
27089-56-1
Catalog Number:
AG007LWS
Molecular Formula:
C8H11N3O5S
Molecular Weight:
261.2550
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Product Description
Catalog Number:
AG007LWS
Chemical Name:
1,2,4-Triazin-5(2H)-one,3,4-dihydro-2-b-D-ribofuranosyl-3-thioxo-
CAS Number:
27089-56-1
Molecular Formula:
C8H11N3O5S
Molecular Weight:
261.2550
MDL Number:
MFCD00006473
IUPAC Name:
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-sulfanylidene-1,2,4-triazin-5-one
InChI:
InChI=1S/C8H11N3O5S/c12-2-3-5(14)6(15)7(16-3)11-8(17)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,17)/t3-,5-,6-,7-/m1/s1
InChI Key:
TVCBDTCUOVDLNZ-SHUUEZRQSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ncc(=O)[nH]c1=S
EC Number:
248-218-7
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
261.042g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
261.252g/mol
Monoisotopic Mass:
261.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5  
Literature
Title Journal
Identification of active antiviral compounds against a New York isolate of West Nile virus. Antiviral research 20020701
Properties