6-mercaptopurine nucleoside

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:574-25-4

mdl number:mfcd00005743

einecs number:209-371-5

rtecs number:up0710000

brn number:40536

pubchem number:24888331

physical property data

1. physical property data

1. boiling point (ºc):220-223

2 . freezing point (ºc):-20

toxicological data

none

ecological data

none

molecular structure data

5. molecular property data:

1. molar refractive index: 65.37

2. molar volume (m³/mol）：140.0

3. isotonic specific volume (90.2k):434.4

4. surface tension (dyne/cm):92.5

5. polarizability（10^-24cm³): 25.91

compute chemical data

4. calculated chemical data:

1. hydrophobic parameters calculate reference value (xlogp）：-0.6

2. hydrogen bonding number of donors: 4

3. hydrogen bonding number of receptors: 6

4. rotatable number of chemical bonds: 2

5. topological molecules polar surface area (tpsa）：112

6. number of heavy atoms:19

7. surface charge ：0

8. complexity ：409

9. isotope atomic number:0

10. determine the number of atomic stereocenters:4

11. uncertain number of stereocenters:0

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

none

storage method

none

synthesis method

none

purpose

none

resource:allhdi.com