3,5-Diiodo-DL-thyronine
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3,5-Diiodo-DL-thyronine
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CAS No:
534-51-0
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Formula:
C15H13I2NO4
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Chemical Name:
3,5-Diiodo-DL-thyronine
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Synonyms:
Tyrosine,O-(4-hydroxyphenyl)-3,5-diiodo-;Alanine,3-[4-(p-hydroxyphenoxy)-3,5-diiodophenyl]-;O-(4-Hydroxyphenyl)-3,5-diiodotyrosine;3,5-Diiodo-DL-thyronine;DL-Diiodothyronine;DL-3,5-Diiodothyronine;2-Azaniumyl-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate;2-Amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid;299-82-1
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CAS No:
Description
Solid
Solid
3,5-Diiodothyronine is an organooxygen compound and an organonitrogen compound. It derives from an alpha-amino acid.
Characteristics
92.8
4.04840
Solid
2.095g/cm3
250-252 °C
559.4ºC at 760mmHg
292.1ºC
198.2 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|186.44 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
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.
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
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes