Erythrosin(E)
Basic information
- CAS
548-25-4- Standard SMILES
O=C(O)c1ccccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12- InChIKey
LAINPTZBIXYTIZ-UHFFFAOYSA-N- Molecular formula
- C20H8I4O5
- Average molar mass
- 835.9 g/mol
- Monoisotopic mass
- 835.6551
Overview
2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxo-9-xanthenyl)benzoic acid is a member of xanthenes.
Names & identifiers
- Preferred name
- Erythrosin(E)
- IUPAC
- 2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acid
Names & synonyms
Erythrosin(E)548-25-42,4,5,7-Tetraiodofluorescein2-(6-Hydroxy-2,4,5,7-tetraiodo-3-oxo-3H-xanthen-9-yl)benzoic acid2-(3-hydroxy-2,4,5,7-tetraiodo-6-oxoxanthen-9-yl)benzoic acidTETRAIDOFLUORESCEINTIFSCHEMBL354872,4,5,7-tetraiodfluoresceinorb1310477CHEMBL1160028SCHEMBL29474197
Show more names
SCHEMBL29511106CHEBI:92265DTXSID60203272NSC4905LAINPTZBIXYTIZ-UHFFFAOYSA-NALBB-038839BBL002827BDBM50541114
Database identifiers
- CAS
548-25-4- PubChem CID
- 27873
- DTXSID
DTXSID60203272- ChEMBL
CHEMBL1160028- ChEBI
CHEBI:92265- EC Number
- 104-605-1
- Nikkaji
- J24.818E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 848
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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