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Home > Imidazoles > 67773-77-7
67773-77-7 | (2R,3R,4R,5S)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
CAS No: 67773-77-7 Catalog No: AG0063ED MDL No:
Product Description
Catalog Number:
AG0063ED
Chemical Name:
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
CAS Number:
67773-77-7
Molecular Formula:
C8H11N3O6
Molecular Weight:
245.1894
IUPAC Name:
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
InChI:
InChI=1S/C8H11N3O6/c12-3-4-5(13)6(14)7(17-4)10-2-1-9-8(10)11(15)16/h1-2,4-7,12-14H,3H2/t4-,5-,6-,7+/m1/s1
InChI Key:
GEPYEWPQCQPUJN-GBNDHIKLSA-N
SMILES:
OC[C@H]1O[C@@H]([C@@H]([C@H]1O)O)n1ccnc1[N+](=O)[O-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
245.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.191g/mol
Monoisotopic Mass:
245.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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