purine purine

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:120-73-0

mdl number:mfcd00079221

einecs number:204-421-2

rtecs number:uo7450000

brn number:3200

pubchem number:24898231

physical property data

none yet

toxicological data

1. acute toxicity: rat peritoneal cavity ld50: 800mg/kg

2. oncogenic toxicity: rat subcutaneous tdlo: 156mg/kg/8w-i

3. mutagenic toxicity: e. coli phage inhibitory ability: 1g/l

ecological data

none yet

molecular structure data

1. molar refractive index: 32.80

2. molar volume (cm³/mol): 81.5

3. isotonic specific volume (90.2k ): 253.1

4. surface tension (dyne/cm): 92.8

5. dielectric constant:

6. dipole moment (10^-24cm³):

7. polarizability: 13.00

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 0

5. number of tautomers: 4

6. topological molecule polar surface area 54.5

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 105

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet