5-methylcytosine

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:554-01-8

mdl number:mfcd00233537

einecs number:209-058-3

rtecs number:uw7362350

brn number:none

pubchem id:none

physical property data

physical property data;
1. melting point (℃):270(foaming)

2. solubility:1gthe product is dissolved in 29mlwater.

3. characters:colorless prism crystal.

toxicological data

none yet

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1. molar refractive index: 31.72

2. molar volume (m³/mol）：86.8

3. isotonic specific volume (90.2k):237.4

4. surface tension (dyne/cm):55.8

5. polarizability（10^-24cm³):12.57

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.8

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 0

5. number of tautomers: 9

6. topological molecule polar surface area 67.5

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 204

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

1. basic properties

those precipitated in water contain1/2molecular crystal water, maximum absorption wavelength ( ph2)210、283nm.

storage method

2. storage

should be sealed and stored in a cool, dry place.

synthesis method

none yet

purpose

4. surface tension (dyne/cm):55.8

5. polarizability（10^-24cm³):12.57

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.8

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

p>

4. number of rotatable chemical bonds: 0

5. number of tautomers: 9

6. topological molecule polar surface area 67.5

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 204

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

1. basic properties

those precipitated in water contain1/2molecular crystal water, maximum absorption wavelength ( ph2)210、283nm.

storage method

2. storage

should be sealed and stored in a cool, dry place.

synthesis method

none yet

purpose

3. purpose

for biochemical research. span>

ily: ‘times new roman’; mso-bidi-font-family: arial”>3. purpose

for biochemical research. span>