3-Iodo-L-tyrosine 3-Iodo-L-tyrosine
Structural formula
| Business number | 01GB |
|---|---|
| Molecular formula | C9H10INO3 |
| Molecular weight | 307.09 |
| label |
3-iodo-L-phenylaminopropionic acid, 3-Monoiodo-L-tyrosine, IC6H3-4-(OH)CH2CH(NH2)CO2H |
Numbering system
CAS number:70-78-0
MDL number:MFCD00002608
EINECS number:200-744-8
RTECS number:None
BRN number:2941266
PubChem ID:None
Physical property data
1. Properties: white crystal. It is unstable to light and releases iodine. Sensitive to air.
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 204~206℃ (decomposition)
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, normal pressure) 5.2kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation ( º): [α]D20 -4.4° (C=5, in 1mol/L hydrochloric acid)
10. Autoignition point or ignition temperature (ºC): Undetermined
11 . Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation 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/water) Log value of distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: soluble in 15 parts of boiling water, soluble in dilute alkali, slightly soluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 60.28
2. Molar volume (cm3/mol): 157.9
3. Isotonic specific volume (90.2K ): 462.4
4. Surface tension (dyne/cm): 73.5
5. Polarizability (10-24cm3): 23.89
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.1
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 4
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4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 3
6. Topological molecular polar surface area (TPSA): 83.6
7.Number of heavy atoms: 14
8, Surface charge: 0
9, Complexity: 212
10, Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 1
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. The number of covalent bonding units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a dry place below 0℃ and protected from light.
Synthesis method
None
Purpose
Used in biochemical research as an inhibitor of tyrosine hydroxylase.