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