α-D-Mannoside methyl ester

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:617-04-9

MDL number:MFCD00063262

EINECS number:210-502-3

RTECS number:None

BRN number:81566

PubChem number:24897124

Physical property data

1. Physical property data

1. Melting point (ºC): 193-196ºC

2. Refractive index: n20/D 79.5(lit .)

Toxicological data

Main irritant effects:

On skin: May cause irritation

On eyes: May cause irritation

Sensitization: None Sensitization of knowledge

Ecological data

3. Ecological data:

General remarks

Water hazard level 1 (German regulations) (self-assessment through the list) This substance is 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

5. Molecular property data:

1. Molar refractive index: 41.92

2. Molar volume (cm³/mol): 131.9

3. Isotonic specific volume (90.2K): 379.2

4. Surface tension (dyne/cm): 68.3

5. Polarizability (10^-24cm³): 16.61

Compute chemical data

IV. Calculated chemical data:

1. Hydrophobic parameter calculation reference value (XlogP): -2.2

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 2

5. Topological molecular polar surface area (TPSA): 99.4

6. Number of heavy atoms: 13

7. Surface charge: 0

8. Complexity: 163

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters: 5

11. Uncertain number of atomic stereocenters: 0

12. Determine the number of chemical bond stereocenters: 0

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

14. The number of covalent bond units: 1

Properties and stability

Properties and stability:

The product may not decompose under normal temperature and pressure.

Storage method

Storage:

Seal the container and store it in a sealed main container in a cool, dry place.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com