deoxycortisone

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:152-58-9

mdl number:mfcd00003662

einecs number:205-805-2

rtecs number:tu5011500

brn number:none

pubchem number:24278671

physical property data

1. physical property data:

1. melting point (ºc): 205-208ºc
2. characteristics:plate shape and glossy of crystallization.
3 . solubility:soluble in acetone, methanol and ethanol, very slightly soluble in water and ether.

toxicological data

2. toxicological data:

1, acute toxicity: mouse intravenous ld50: 100 mg/kg

ecological data

3. ecological data:

usually for water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

molecular structure data

5. molecular property data:

1. molar refractive index:94.05

2. molar volume (m³/ mol):283.4

3. isotonic specific volume (90.2k): 764.2

4. surface tension (dyne/cm): 52.8

5. polarizability（10^-24cm³):37.28

compute chemical data

4. calculated chemical data:

1. hydrophobic parameters calculate reference value (xlogp）：2.5

2. hydrogen bonding number of donors: 2

3. number of hydrogen bond acceptors: 4

4. rotatable number of chemical bonds: 2

5. topological molecules polar surface area (tpsa）：74.6

6. heavy atoms quantity: 25

7. surface charge ：0

8. complexity ：652

9. isotope atomic number:0

10. determine the number of atomic stereocenters:6

11. uncertain number of atomic stereocenters:0

12. determine the number of stereocenters of chemical bonds:0

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

none

storage method

should be kept sealed.

synthesis method

can be separated from adrenal gland extract, or can be prepared from bile acids, yam saponins, etc. .

purpose

for biochemical research.

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10. determine the number of atomic stereocenters:6

11. uncertain number of atomic stereocenters:0

12. determine the number of stereocenters of chemical bonds:0

13. uncertain number of chemical bond stereocenters:0

14. number of covalent bond units: 1

properties and stability

none

storage method

should be kept sealed.

synthesis method

can be separated from adrenal gland extract, or can be prepared from bile acids, yam saponins, etc. .

purpose

for biochemical research.

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purpose

for biochemical research.