Tetrahydrocortisone

Tetrahydrocortisone structural formula

Structural formula

Business number 015U
Molecular formula C21H32O5
Molecular weight 364.48
label

TetrahydroE,

Tetrahydrocompound E,

Urocortisone,

THE,

3.alpha.,17,21-Trihydroxy-5-.beta.-pregnane-11,20-dione

Numbering system

CAS number:53-05-4

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character:Crystal.


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


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


4. Melting point (ºC): 190


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


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


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º):[α]D 25 +85.5°(in absolute ethanol).


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 and water (octanol/Log value of the partition coefficient (water): undetermined


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


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


19. Solubility: 1g The product is soluble in6mlWater,40mlEthanol,420mlChloroform, insoluble In ether. Its solubility decreases with increasing temperature.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 95.73


2. Molar volume (m3/mol):291.7


3. isotonic ratio(90.2K)793.3


4. Surface Tension(dyne/cm)54.6


5. Polarizability(10-24cm3)37.95

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):2.2


2. Hydrogen BondingNumber of donors: 3


3. Number of hydrogen bond acceptors: 5


4. Number of rotatable chemical bonds: 2


5. Number of tautomers: 9


6. Topological molecular polar surface area (TPSA):94.8


7. Number of heavy atoms: 26


8. Surface charge: 0


9. Complexity: 632


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 8


12. The number of uncertain atomic stereocenters: 0


13. Determine the number of stereocenters of chemical bonds: 0


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method


This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

None yet

Purpose

Biochemical research. Standard substance for determination of tetrahydrocortisone in body fluids.

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