2',7'-Diiodofluorescein
Basic information
- CAS
83498-89-9- Standard SMILES
O=C1OC2(c3cc(I)c(O)cc3Oc3cc(O)c(I)cc32)c2ccccc21- InChIKey
YUOSDRMYPOJFCP-UHFFFAOYSA-N- Molecular formula
- C20H10I2O5
- Average molar mass
- 584.1 g/mol
- Monoisotopic mass
- 583.86177
Names & identifiers
- Preferred name
- 2',7'-Diiodofluorescein
- IUPAC
- 3',6'-dihydroxy-2',7'-diiodospiro[2-benzofuran-3,9'-xanthene]-1-one
Names & synonyms
2',7'-diiodofluoresceinLVL5VMW2K52',7'-Di-iodofluorescein2',7'-diiodo-fluoresceinUNII-LVL5VMW2K5BMS185937BMS-18593783498-89-93',6'-Dihydroxy-2',7'-diiodo-spiro(isobenzofuran-3,9'-xanthene)-1-one3',6'-Dihydroxy-2',7'-diiodospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-oneSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',7'-diiodo-SCHEMBL499184
Show more names
CHEMBL3596257
Database identifiers
- CAS
83498-89-9- PubChem CID
- 4067271
- ChEMBL
CHEMBL3596257- UNII
- LVL5VMW2K5
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 585
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Compound notes
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