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