aminopurine
Structural formula
Business number | 016G |
---|---|
Molecular formula | C19H24N8O7 |
Molecular weight | 440.41 |
label |
4-Amino-PGA, 4-Aminofolic acid, 4-Aminopteroyl-L-glutamic acid |
Numbering system
CAS number:54-62-6
MDL number:MFCD00036692
EINECS number:200-209-9
RTECS number:MA1050000
BRN number:69045
PubChem number:24278186
Physical property data
1. Traits: Yellow needle-like crystals. Sensitive to light and air.
2. Density (g/mL,25/4℃): Undetermined
3. relative steam Density (g/mL,Air=1) : Undetermined
4. Melting point (ºC): 230~235(decomposition)
5. Boiling point (ºC, often pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash point (ºC) : Undetermined
9. Specific rotation (º, C=1, 0.1mol/LSodium hydroxide solution):[α]D20 +18±2°
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC) : Undetermined
15. Critical pressure (KPa) : Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Soluble in sodium hydroxide solution.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 114.27
2. Molar volume (m3/mol):277.1
3. isotonic specific volume (90.2K):883.6
4. Surface Tension (dyne/cm):103.3
5. Polarizability(10-24cm3): 45.30
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP):-2
2. Number of hydrogen bond donors: 6
3. Number of hydrogen bond acceptors: 12
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: 36
6. Topological molecular polar surface area (TPSA):219
7. Number of heavy atoms: 32
8. Surface charge: 0
9. Complexity: 674
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 1
12. The number of uncertain atomic stereocenters: 0
13. Determine the number of stereocenters of chemical bonds: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed, dry and protected from light.
Synthesis method
None
Purpose
Anti-tumor drugs. It can be used to treat psoriasis skin disease and can also be used to treat acute and subacute childhood leukemia.
Biochemical research. Antifolates.
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