5,6-dichloro-1-β-d-ribofuranosylbenzimidazole 5,6-dichloro-1-β-d-ribofuranosylbenzimidazole

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:53-85-0

mdl number:mfcd00036785

einecs number:none

rtecs number:dd7310000

brn number:39123

pubchem number:24278361

physical property data

none

toxicological data

1, mutagenicity : mutation test system – and not other specifiedtest systems: insects, instead of cells specified otherwise –not otherwise specified: 65umol/l;
mutation testing system– and not other specifiedtest systems: human hela cells: 40umol/l

ecological data

none

molecular structure data

1. molar refractive index: 70.35

2. molar volume (m³/mol):172.7

3. isotonic ratio(90.2k)：501.0

4. surface tension(dyne/cm)：70.7

5. polarizability(10-24cm³)：27.89

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp):1.1

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers:

6. topological molecular polar surface area (tpsa):87.7

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 364

10, 3. number of hydrogen bond acceptors: 5

4. number of rotatable chemical bonds: 2

5. number of tautomers:

6. topological molecular polar surface area (tpsa):87.7

7. number of heavy atoms: 20

8. surface charge: 0

9. complexity: 364

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 4

12. the number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none

di-font-family: arial”>number of isotope atoms: 0

11. determine the number of atomic stereocenters: 4

12. the number of uncertain atomic stereocenters: 0

13. determine the number of stereocenters of chemical bonds: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none