200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 126004-13-5
126004-13-5 | 1H-Imidazole-4-carbonitrile, 5-ethynyl-1-β-D-ribofuranosyl-
CAS No: 126004-13-5 Catalog No: AG000QR0 MDL No:
Product Description
Catalog Number:
AG000QR0
Chemical Name:
1H-Imidazole-4-carbonitrile, 5-ethynyl-1-β-D-ribofuranosyl-
CAS Number:
126004-13-5
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carbonitrile
InChI:
InChI=1S/C11H11N3O4/c1-2-7-6(3-12)13-5-14(7)11-10(17)9(16)8(4-15)18-11/h1,5,8-11,15-17H,4H2/t8-,9-,10-,11-/m1/s1
InChI Key:
OAMMFSMFVAEFOI-GWOFURMSSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(c1C#C)C#N
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.