2-chloroadenosine

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:146-77-0

mdl number:mfcd00005734

einecs number:205-678-3

rtecs number:au7357550

brn number:none

pubchem number:24277688

physical property data

1. physical property data:

1. appearance: white to white hygroscopic powder.

2. melting point 145 ～ 150℃.

toxicological data

2. toxicological data:

1, acute toxicity: mice oral ld: >100 mg/kg ;

mouse intravenous ldlo: 50 mg/kg.

2. reproductive toxicity: mouse abdominal cavity tdlo: 603 ug/kg

ecological data

3. ecological data:

usually for water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

molecular structure data

5. molecular property data:

1. molar refractive index:64.55

2. molar volume (m³/mol):137.4

3. isotonic specific volume (90.2k):441.6

4. surface tension (dyne/cm):106.5

5. polarizability(10^-24cm³）：25.59

compute chemical data

4. calculated chemical data:

1. hydrophobic parameters calculate reference value (xlogp）：-0.1

2. hydrogen bonding number of donors: 4

3. hydrogen bonding number of receptors: 8

4. number of rotatable chemical bonds ：2

5. topological molecules polar surface area (tpsa）：140

6. heavy atoms quantity: 20

7. surface charge ：0

8. complexity ：367

9. isotope atomic number:0

10. determine the number of atomic stereocenters:0

11. uncertain number of atomic stereocenters:4

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

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

stable under normal temperature and pressure.

storage method

save in a dry and cool place.

synthesis method

none

purpose

none

family: arial; mso-fareast-font-family: arial”>10. determine the number of atomic stereocenters:0

11. uncertain number of atomic stereocenters:4

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

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

stable under normal temperature and pressure.

storage method

save in a dry and cool place.

synthesis method

none

purpose

none