Diiodothyronine
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Diiodothyronine
structure -
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CAS No:
1041-01-6
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Formula:
C15H13I2NO4
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Chemical Name:
Diiodothyronine
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Synonyms:
L-Tyrosine,O-(4-hydroxyphenyl)-3,5-diiodo-;Alanine,3-[4-(p-hydroxyphenoxy)-3,5-diiodophenyl]-,L-;O-(4-Hydroxyphenyl)-3,5-diiodo-L-tyrosine;3,5-Diiodo-L-thyronine;Diiodothyronine;Diiodo-L-thyronine;3,5-Diiodothyronine;L-3,5-Diiodothyronine;L-T2;L-Diiodothyronine;NSC 90469;(2S)-2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid;(2S)-2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid;30804-67-2;243965-18-6
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CAS No:
Description
Off-White Solid
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid is a phenylalanine derivative.
Characteristics
92.8
1.1
Off-white solid
2.095±0.06 g/cm3(Predicted)
255 °C
559.4±50.0 °C(Predicted)
292.1±30.1 °C
1.726
2-8ºC
2.39E-13mmHg at 25°C
198.5 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|189.4 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|188.2 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Safety Information
NONH for all modes of transport
3
R22
24/25
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (94.23%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 52 companies from 3 notifications to the ECHA C&L Inventory.
Diiodothyronine Use and Manufacturing
Of interest for the early detection and treatment of congenital or drug-induced hypothyroidism.
Computed Properties
Molecular Weight:525.08
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:524.89340
Monoisotopic Mass:524.89340
Topological Polar Surface Area:92.8
Heavy Atom Count:22
Complexity:365
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of Diiodothyronine
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CN
3 YRS
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