5,6-Dichloro-1-β-D-ribofuranosylbenzimidazole

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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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  • by Published on 2024-05-13 17:40:25
  • Reprinted with permission:https://www.ohans.cn/16153.html