O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine | CAS No. 51-48-9

O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine

Basic Information

CAS Number

51-48-9

Molecular Formula

C15H11I4NO4

Molecular Weight

776.87 g/mol

AD

Basic Physical Properties

Melting Point

235 °C

Boiling Point

576.3°C at 760mmHg

Water Solubility

insoluble

Flash Point

302.3°C

Solubility

Dissolves in 4M ammonium hydroxide in Methanol at 50mg/ml

Refractive Index

1.795

Vapor Pressure

4.02E-14mmHg at 25°C

Specific Rotation

-5 º (1N NaOH:EtOH 1:2)

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N

InChI

InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1

InChIKey

XUIIKFGFIJCVMT-LBPRGKRZSA-N

LogP

4.5573000000000015

pKa

2.2(at 25℃)

Topological Polar Surface Area

92.78000000000002 Ų

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

420

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • KBio1_001911
  • Thyreoideum
  • Tox21_112101
  • KBioGR_000516
  • Thyroxine (VAN)
  • Levothroid (*Sodiumsalt*)
  • NSC-757434
  • Thyroxine (I)
  • SpecPlus_000871
  • Eltroxin (TN)
  • BRD-K30685142-001-05-5
  • DTXSID8023214
  • 3,3'',5,5''-tetraiodo-L-thyronine
  • HMS2096A08
  • AC-7504
  • NCGC00094852-03
  • Tox21_302156
  • 3,3',5,5'-Tetraiodo-L-thyronine
  • O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine
  • SW196731-3
  • Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo- (9CI)
  • Levothyroxine (BAN)
  • Levothroid (*Sodium salt*)
  • C15-H11-I4-N-O4
  • HY-18341
  • Levothyroxine, Pharmaceutical Secondary Standard; Certified Reference Material
  • Prestwick2_000403
  • Epitope ID:123889
  • 1hk2
  • NCGC00255368-01
  • Levothyroxin

MDL Number

MFCD00002595

Customs Code

2942000000

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