6-mercaptopurine nucleoside
Structural formula
| Business number | 05UM |
|---|---|
| Molecular formula | C10H12N4O4S |
| Molecular weight | 284.29 |
| label |
6-mercaptopurine-9-D-nucleoside, 6-Mercaptopurine riboside, 6-Purinethiol riboside, 6-Thioinosine, aromatic compounds |
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