Structural formula
| Business number | 01BM |
|---|---|
| Molecular formula | C21H24O10 |
| Molecular weight | 436.41 |
| label |
Phlorizin dihydrate, 1-(2-(beta-D-glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-propanone, 1-[2-(β-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone, Phloretin 2′-β-D-glucopyranoside, Phloretin 2′-β-D-glucoside |
Numbering system
CAS number:60-81-1
MDL number:MFCD00149438
EINECS number:200-487-1
RTECS number:UC2080000
BRN number:66621
PubChem number:24898413
Physical property data
1. Character: White and light It is a small, slender needle-shaped crystal with a taste that is sweet at first and then bitter
2. Density (g/mL,25/4 ℃):1.4298g/cm3
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point (ºC): 109
5. Boiling point (ºC,Normal pressure): Not OK
6. Boiling point (ºC,5.2kPa): Not OK
7. Refractive index: not OK
8. Flashpoint (ºC): Undetermined
9. Specific optical rotation ( º): Undetermined
10. Spontaneous ignition point or ignition Combustion temperature (ºC) : Undetermined
11. Vapor pressure (kPa,25ºC): Not OK
12. Saturation vapor pressure ( kPa,60ºC): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: able Soluble in hot water, ethanol, methanol, amyl alcohol, acetone, ethyl acetate, pyridine, glacial acetic acid, etc., insoluble in ether, chloroform and benzene.
Toxicological data
1, acute toxicity: mouse abdominal cavity LD: >500mg/kg
2, reproductive toxicity: abdominal cavity of female rats TDLo: 600mg/kg, 8 days after conception
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 106.75
2. Molar volume (m3/mol）：280.5
3. isotonic specific volume (90.2K):839.3
4. Surface Tension (dyne/cm):80.1
5. Polarizability（10-24cm3): 42.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 7
3. Number of hydrogen bond acceptors: 10
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: 42
6. Topological molecule polar surface area 177
7. Number of heavy atoms: 31
8. Surface charge: 0
9. Complexity: 581
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 yet
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
None yet
Purpose
For biochemical testing.
rial; mso-fareast-font-family: Arial”>3. Isotonic specific volume (90.2K）：839.3
4. Surface Tension (dyne/cm):80.1
5. Polarizability（10-24cm3): 42.32
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 7
3. Number of hydrogen bond acceptors: 10
4. Number of rotatable chemical bonds: 7
5. Number of tautomers: 42
6. Topological molecule polar surface area 177
7. Number of heavy atoms: 31
8. Surface charge: 0
9. Complexity: 581
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 yet
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
None yet
Purpose
For biochemical testing.
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