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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