aminopurine – Pu catalyst

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.