D-(+)-Biotin D-(+)-Biotin

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:58-85-5

MDL number:MFCD00005541

EINECS number:200-399-3

RTECS number:XJ9088200

BRN number:86838

PubChem number:24891778

Physical property data

1. Properties: colorless, slender needle-shaped crystals. The pure product is stable at room temperature and in the air. It can be stable for several months in neutral or moderately acidic solutions, unstable in alkaline solutions, aqueous solutions are prone to mold growth, and acidic solutions can be heated and sterilized.

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

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

4. Melting point (ºC): 232～233

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): + 91° (C=1, in 0.1mol/L sodium hydroxide solution)

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-water (octanol/water) partition coefficient pair Value: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Easily soluble in hot water and dilute alkali solution, insoluble in other general organic solvents.

Toxicological data

1. Reproductive toxicity: Female rats subcutaneous TDLo: 200mg/kg, 14-15 days after conception; male rats subcutaneous TDLo: 100mg/kg, 1 day before mating; Female rats subcutaneous TDLo: 200mg/kg, 1-2 days later Pregnancy; Oral TDLo for female mice: 17mg/kg, conception occurs after 1-17 days

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 60.88

2. Molar volume (cm³/mol): 192.7

3. Isotonic specific volume (90.2K ): 501.6

4. Surface tension (dyne/cm): 45.9

5. Polarizability (10^-24cm³): 24.13

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.3

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors:3

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA) : 78.4

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 298

10 , Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 3

12. Number of uncertain atomic stereocenters: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed, dry and protected from light.

Synthesis method

1. Prepared by microbial fermentationorproduced by cysteine ​​synthesis.

Purpose

1. Biochemical research.

2.Used in basic cosmetics to protect the skin and prevent skin inflammation.