N-acetylneuraminic acid

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:131-48-6

MDL number:MFCD00006620

EINECS number:205-023-1

RTECS number:None

BRN number:1716283

PubChem number:24890457

Physical property data

1. Properties: Colorless crystals.

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

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

4. Melting point (ºC): 185-187 (decomposition)

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

6. Boiling point (ºC, 5.2 kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º , C=2, in water): -32

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

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

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

19. Solubility : Soluble in water and methanol, slightly soluble in ethanol, insoluble in ether, acetone and chloroform.

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: May cause irritation.

On eyes: May cause irritation.

Sensitization: No sensitizing effects.

Ecological data

General notes

Water hazard level 1 (German regulations) (self-assessment via list)��� Substances are slightly harmful to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 65.66

2. Molar volume (cm³/mol): 188.0

3. Isotonic specific volume (90.2K): 588.1

4. Surface tension (dyne/cm): 95.7

5. Polarizability (10^-24cm³): 26.03

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): -3.5

2. Number of hydrogen bond donors: 7

3. Number of hydrogen bond acceptors: 9

p>

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA): 177

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 403

10. Isotopic atoms Quantity: 0

11. Determine the number of atomic stereocenters: 6

12. Uncertain number of atomic stereocenters: 0

13. Determine chemical bond positions Number of stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid inhaling the dust of this product and avoid contact with eyes and skin.

Storage method

Sealed with argon and stored dry at -18℃.

Synthesis method

None yet

Purpose

1. For tissue culture. Biochemical research.