17α-Estradiol 17α-Estradiol
Structural formula
| Business number | 0193 |
|---|---|
| Molecular formula | C18H24O2 |
| Molecular weight | 272.38 |
| label |
1,3,5(10)estratriene-3,17α-diol, 1,3,5(10)-Estratriene-3,17α-diol, 3,17α-Dihydroxy-1,3,5(10)-estratriene |
Numbering system
CAS number:57-91-0
MDL number:MFCD00064144
EINECS number:200-354-8
RTECS number:KG3750000
BRN number:None
PubChem number:24894682
Physical property data
1. Character: Hemihydrate is Needle crystal(80%Ethanol).
2. Density ( g/mL,25/4℃) ：1.04
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point ( ºC): 220~223℃
5. Boiling point ( ºC,Normal pressure): Undetermined
6. Boiling point ( ºC, 1.33Pa） :Undetermined
7. Refractive Index: Undetermined
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation (º): +53°～56°(c=0.9, dioxane Ring)
10. Autoignition point or ignition temperature (ºC): Not OK
11. Vapor pressure (kPa,25ºC<SPAN style="FONT-SIZE: 9pt; FONT-FAMILY: 宋体; mso-asci
5. Molecular property data:
1. Molar refractive index: 79..50
2. Molar Volume (m3/mol）：232.6
3. isotonic specific volume (90.2K):615.4
4. Surface Tension (dyne/cm):48.9
5. Polarizability(10-24cm3): 31.51
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 382
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 5
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
None
Storage method
None
Synthesis method
Punica granatum L. from the family Pomegranaceae(Punica granatum L.).
Purpose
Treatment of functional uterine bleeding, primary amenorrhea, menopausal syndrome, etc.
MILY: Arial”>31.51
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 382
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 5
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
None
Storage method
None
Synthesis method
Punica granatum L. from the family Pomegranaceae(Punica granatum L.).
Purpose
Treatment of functional uterine bleeding, primary amenorrhea, menopausal syndrome, etc.