structural formula
| business number | 0163 |
|---|---|
| molecular formula | c12h12cl2n2o4 |
| molecular weight | 319.14 |
| label |
dichlorobenzimidazole furanoside, 5,6-dichloro-1-β-d-ribofuranosylbenzimidazole, 5,6-dichlorobenzimidazole riboside, drb |
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
