Triiodothyronine, reverse sulfate
Basic information
- CAS
79349-15-8- Standard SMILES
N[C@@H](Cc1ccc(Oc2cc(I)c(OS(=O)(=O)O)c(I)c2)c(I)c1)C(=O)O- InChIKey
BWRJFXXHPZMDPS-LBPRGKRZSA-N- Molecular formula
- C15H12I3NO7S
- Average molar mass
- 731 g/mol
- Monoisotopic mass
- 730.7469
Names & identifiers
- Preferred name
- Triiodothyronine, reverse sulfate
- IUPAC
- (2S)-2-amino-3-[4-(3,5-diiodo-4-sulfooxyphenoxy)-3-iodophenyl]propanoic acid
- English name
- triiodothyronine, reverse sulfate
- Molecular formula
- C15H12I3NO7S
- Molecular weight
- 731.04
Names & synonyms
Reverse T3 sulfate79349-15-8Triiodothyronine, Reverse SulfateRefChem:191685L-Tyrosine, O-(3,5-diiodo-4-(sulfooxy)phenyl)-3-iodo-o-[3,5-diiodo-4-(sulfooxy)phenyl]-3-iodo-l-tyrosine(2S)-2-amino-3-[4-(3,5-diiodo-4-sulfooxyphenoxy)-3-iodophenyl]propanoic acidDTXSID301000418O-[3,5-Diiodo-4-(sulfooxy)phenyl]-3-iodotyrosineL-Tyrosine, O-[3,5-diiodo-4-(sulfooxy)phenyl]-3-iodo-
Database identifiers
- CAS
79349-15-8- PubChem CID
- 133192
- DTXSID
DTXSID301000418
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 605
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Related reactions
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Compound notes
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