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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