3′,5′-Diiodo-L-tyrosine
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3′,5′-Diiodo-L-tyrosine
structure -
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CAS No:
300-39-0
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Formula:
C9H9I2NO3
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Chemical Name:
3′,5′-Diiodo-L-tyrosine
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Synonyms:
L-Tyrosine,3,5-diiodo-;Tyrosine,3,5-diiodo-,L-;3,5-Diiodo-L-tyrosine;L-3,5-Diiodotyrosine;DIT;DIT (amino acid);3′,5′-Diiodo-L-tyrosine;NSC 4143;Bijodtyrosin;(2S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
- Categories:
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CAS No:
Description
white to beige powder
Solid
3,5-diiodo-L-tyrosine is a diiodotyrosine that is L-tyrosine carrying iodo-substituents at positions C-3 and C-5 of the benzyl group. It is an intermediate in the thyroid hormone synthesis. It has a role as a human metabolite and a mouse metabolite. It is a L-tyrosine derivative, a non-proteinogenic L-alpha-amino acid and a diiodotyrosine. It is a conjugate acid of a 3,5-diiodo-L-tyrosinate(1-).|A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE).
3′,5′-Diiodo-L-tyrosine Basic Attributes
469.012
432.98
206-092-0
6L57Q44ZWW
DTXSID0048680
H - Systemic hormonal preparations, excl. sex hormones and insulins
2922509090
Characteristics
102.01000
2.12750
Solid
2.405g/cm3
188 °C
410.5ºC at 760 mmHg
202.1ºC
1.2 ° (C=5, 1mol/L HCl)
slightly soluble
2-8°C
171.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|165.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|159.3 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Safety Information
2811
3
R36/37/38
S26-S37/39
Xi:Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:432.98
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:432.86719
Monoisotopic Mass:432.86719
Topological Polar Surface Area:83.6
Heavy Atom Count:15
Complexity:227
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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