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:53-16-7

MDL number:MFCD00003620

EINECS number:200-164-5

RTECS number:KG8575000

BRN number:1915077

PubChem number:24278427

Physical property data

1. Properties: White to milky white crystalline powder

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

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

4. Melting point (oC): 280

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

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

7. Refractive index: Undetermined

8. Flash point (oC): Undetermined

9. Specific optical rotation (o): +158°～+165°

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-water (octanol/water) partition coefficient relationship Value: Undetermined

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

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

19. Solubility: Almost insoluble in water. Soluble in ethanol, chloroform, boiling ethanol, acetone, dioxane and vegetable oil. Slightly soluble in absolute ethanol, ether and alkali.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 78.04

2. Molar volume (cm³/mol): 232.1

3. Isotonic specific volume (90.2K ): 604.7

4. Surface tension (dyne/cm): 46.0

5. Polarizability (10-24cm³): 30.94

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 18

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 418

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 4

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Estrone is an estrogen secreted by mature ovarian follicles (mainly theca cells) and the corpus luteum. It has the same effect as estradiol and can promote and regulate female accessory sexual organs. development, prompting the emergence of female secondary sexual characteristics.

Storage method

Store in a sealed and protected place from light

Synthesis method

1. Made from 17β-estradiol under the action of 17β-hydroxysteroid dehydrogenase.

2.

Purpose

1. It is mainly used to treat uterine hypoplasia, menstrual disorders, menopausal disorders, etc. It is rarely used due to its difficult source.

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