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
• 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: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. hydrophobic parameter calculation reference value (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. ​​​​

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