Coenzyme A Coenzyme A

Structural formula

• 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:85-61-0

MDL number:MFCD06795839

EINECS number:201-619-0

RTECS number:None

BRN number:77809

PubChem number:24892684

Physical property data

1. Properties: white powder. Has a special mercaptan smell. Hygroscopic. Can be dried in a phosphorus pentoxide vacuum dryer at 34°C. It is easily oxidized into inactive disulfide in air.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 146℃ (anhydrous).

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition Combustion 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. Logarithmic value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: soluble in water, insoluble in ethanol, ether and acetone

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 157.20

2. Molar volume (cm³/mol): 391.1

3. Isotonic specific volume (90.2K): 1244.5

4. Surface tension (dyne/cm): 102.4

5. Polarizability (10^-24cm³): 62.31

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -5.8

2. Number of hydrogen bond donors: 9

3. Number of hydrogen bond acceptors: 20

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4. Number of rotatable chemical bonds: 18

5. Number of tautomers: 12

6. Topological molecular polar surface area (TPSA): 347

7. Number of heavy atoms: 48

8. Surface charge: 0

9. Complexity: 1270

10.Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 4

12. Uncertain number of atomic stereocenters: 1

13. Determine Number of stereocenters of chemical bonds: 0

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

White powder. Has a special mercaptan smell. Hygroscopic. Can be dried in a phosphorus pentoxide vacuum dryer at 34°C. It is easily oxidized into inactive disulfide in air. Soluble in water, insoluble in ethanol, ether and acetone. The maximum absorption wavelength is 259.5nm (ε 16800).

Storage method

Seal and store in a dry and dark place at 4°C.

Synthesis method

1. This product is extracted from fresh yeast and consists of pantothenic acid; adenine; ribose; cysteamine and phosphoric acid. The process steps are as follows: fresh pressed yeast [broken wall] clear liquid [primary adsorption] resin adsorbent [elution] primary eluate [secondary adsorption] activated carbon adsorbent [elution] secondary eluent [concentration] concentrate [Reduction] Reduction solution [Complexation] Complex [Purification] Purification solution [Concentration] Concentrate [Precipitation] Precipitate [Drying] Coenzyme A

2.Resin adsorption method using pig liver as raw material

3.Extraction method using yeast as raw material

4.Microbial biosynthesis method

Purpose

1. Coenzyme. It is an important factor in regulating sugar, fat and protein metabolism.

2.For leukopenia, essential thrombocytopenic purpura and functional low fever. And used for fatliver, hepatitis, hepatic coma, coronary arteriosclerosis, myocardial infarction, nephrotic syndrome, uremia, neonatal hypoxia, diabetes and acidosis, etc.; and used for Protection from radiation damage, delaying the development of muscle atrophy, etc.