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78621-34-8 | (2R,3R,4R,5R)-2-(5,6-dichloro-2-methyl-benzoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS No: 78621-34-8 Catalog No: AG005K2V MDL No:
Product Description
Catalog Number:
AG005K2V
Chemical Name:
(2R,3R,4R,5R)-2-(5,6-dichloro-2-methyl-benzoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS Number:
78621-34-8
Molecular Formula:
C13H14Cl2N2O4
Molecular Weight:
333.1673
IUPAC Name:
(2R,3R,4S,5R)-2-(5,6-dichloro-2-methylbenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C13H14Cl2N2O4/c1-5-16-8-2-6(14)7(15)3-9(8)17(5)13-12(20)11(19)10(4-18)21-13/h2-3,10-13,18-20H,4H2,1H3/t10-,11-,12-,13-/m1/s1
InChI Key:
SSTOIILSNGGYOF-FDYHWXHSSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1c(C)nc2c1cc(Cl)c(c2)Cl
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
332.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
333.165g/mol
Monoisotopic Mass:
332.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of benzo[d]imidazole derivatives as potential anti-cancer agents. | Bioorganic & medicinal chemistry letters 20120201 |
| P-TEFb kinase is required for HIV Tat transcriptional activation in vivo and in vitro. | Genes & development 19971015 |
| Saperconazole: in vitro and in vivo anticandidal activity. | Chemotherapy 19920101 |
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