Vitamin B12 Cyanocobalamin

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:68-19-9

MDL number:MFCD00151092

EINECS number:200-680-0

RTECS number:GG3750000

BRN number:4122889

PubChem number:24892627

Physical property data

1. Properties: dark red crystal or crystalline powder. Odorless, tasteless, highly hygroscopic, turns black at 210~220℃ 2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air=1): Not sure Confirm

4. Melting point (ºC): 210~220℃ (carbonization and blackening).

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

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

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): [α] 20D is -59°±9° (H2O). 10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

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

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

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

Toxicological data

Acute toxicity: Mouse oral LD: >5 mg/kg; Mouse intraperitoneal LDLo: 1364 mg/kg; Mouse subcutaneous injection LD50: 2727 ug/kg;

Breeding: Rat oral TDLo: 115 mg/kg kgSEX/DURATION: female 1-22 day(s) after conception;

Mouse muscle TDLo: 168 mg/kgSEX/DURATION: female 10 day(s) after conception;sp; Mouse muscle TDLo: 84 mg/kgSEX/DURATION: female 11 day(s) after conception;

Ecological data

None

Molecular structure data

None

Compute chemical data

1. Number of hydrogen bond donors: 9

2. Number of hydrogen bond acceptors: 21

3. Number of rotatable chemical bonds: 16

4. Number of tautomers: 128

5. Topological molecular polar surface area (TPSA): 476

6. Number of heavy atoms: 93

7. Surface charge: 0

8. Complexity: 3220

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 12

11. The number of uncertain atomic stereocenters: 2

12. The number of determined chemical bond stereocenters: 3

13. The uncertain chemical bond stereocenters Quantity: 0

14, Number of covalent bond units: 3

Properties and stability

Vitamin B12 is the only vitamin that contains major minerals and is difficult to absorb by the body. It needs to be combined with calcium during absorption in order to be beneficial to the functional activities of the human body.

Storage method

Packaged in brown glass bottles. Store in shading and sealed condition.

Synthesis method

①Extract vitamin B12 from the scraps of gentamicin production.

② Vitamin B12 is produced by fermentation with Propionibacterium in the presence of 5,6-dimethylbenzimidazole. After the bacterial fermentation is completed, use sodium sulfite to adjust the pH value to 5, and then use activated carbon to adsorb, elute, and purify. Then it is converted with 1% sodium cyanide, and then repeatedly extracted with solvent and water, concentrated, and crystallized to obtain vitamin B12.

3.Prepared by fermentation of Streptomyces griseus, the fermentation liquid is acidified, adsorbed, eluted, purified, converted with 1% cyanide, and then It is obtained by repeated extraction, concentration, chromatography and crystallization of solvent and water.

Purpose

1. It is mainly used in medicine and can also be used as a nutritional supplement in various foods.

2.Used as feed nutritional fortifier. It has anti-anemia effect and is effective against pernicious anemia, nutritional anemia and parasitic anemia.