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
• 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: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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