5,6-Dichloro-1-β-D-ribofuranosylbenzimidazole
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, and not cells otherwise specified –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. 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
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