e6e763381f5e0686…

Compound
ID: 853421 bytesFirst seen Jun 12, 20261 collection

Fields

NameValue
cid853
exactMass776.6867
hBondAcceptors5
hBondDonors3
inchiKeyXUIIKFGFIJCVMT-UHFFFAOYSA-N
iupacName2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
molecularFormulaC15H11I4NO4
molecularWeight776.87
nameDL-Thyroxine
pubchemUrlhttps://pubchem.ncbi.nlm.nih.gov/compound/853
rotatableBonds5
smilesnull
xLogP2.4

Canonical JSON

{
  "id": "853",
  "type": "Compound",
  "data": {
    "cid": 853,
    "exactMass": 776.6867,
    "hBondAcceptors": 5,
    "hBondDonors": 3,
    "inchiKey": "XUIIKFGFIJCVMT-UHFFFAOYSA-N",
    "iupacName": "2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid",
    "molecularFormula": "C15H11I4NO4",
    "molecularWeight": 776.87,
    "name": "DL-Thyroxine",
    "pubchemUrl": "https://pubchem.ncbi.nlm.nih.gov/compound/853",
    "rotatableBonds": 5,
    "smiles": null,
    "xLogP": 2.4
  }
}

Appears in 1 collection

nih/pubchem-compounds1 version · Jun 12, 2026

Full hash:e6e763381f5e0686193e86d4180a24d11487985c374b3c0b780d61688afb20c5