structural formula

business number	016e
molecular formula	c8h10no6p
molecular weight	247.14
label	pyridoxal phosphate, pyraldin phosphate, pyridoxal-5-phosphate

• 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:54-47-7

mdl number:none

einecs number:200-208-3

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. character:off-white or yellow powder, soluble in dilute acid, it is zero color, yellow in alkali. virtually odorless and tasteless.

2. density (g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):140-143℃

5. boiling point (ºc,normal pressure): undetermined

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flashpoint (ºc): undetermined

9. specific optical rotation (º): undetermined

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 partition coefficient: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility:slightly soluble in alcohol, soluble in200 part of water, insoluble in chloroform, benzene, acetone, ether. stable in a cold place away from light.

toxicological data

1, acute toxicity: rat oral ld50: 5900 mg/kg; rat subcutaneous ld50: 850 mg/kg; small mouse oral ld50: 4640 mg/kg; mouse subcutaneous: 870 mg/kg;
mouse intravenous ld50: 530 mg/kg; mouse intramuscular ld50：1150 mg/kg;
2, mutagenicity.�dna‘s damagetest system: bacteria – e. coli: 50umol/l

ecological data

none

molecular structure data

1. molar refractive index: 54.40

2. molar volume (m³/mol）：150.8

3. isotonic specific volume (90.2k):461.1

4. surface tension (dyne/cm):87.3

5. polarizability（10^-24cm³):21.56

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -1.1

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 7

4. number of rotatable chemical bonds: 4

5. number of tautomers: 4

6. topological molecule polar surface area 117

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 292

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be sealed in4℃save in dry place and away from light.

synthesis method

none

purpose

the main drug of vitamin b6, suitable for the treatment of acute and chronic eczema and dermatitis , urticaria, pustular eruptions, pruritus, seborrheic eczema, scaly eruptions, drug eruptions, angular stomatitis, cheilitis, glossitis, pregnancy reactions, asthma, etc.

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