Acetamidofluorescein
Basic information
- CAS
82779-14-4- Standard SMILES
CC(=O)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21- InChIKey
FFFNOSBBXSHTRS-UHFFFAOYSA-N- Molecular formula
- C22H15NO6
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.0899372
Names & identifiers
- Preferred name
- Acetamidofluorescein
- IUPAC
- N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)acetamide
- English name
- acetamidofluorescein
- Molecular formula
- C22H15NO6
- Molecular weight
- 389.36
Names & synonyms
Acetamidofluorescein82779-14-4RefChem:108866CHEMBL5285693N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)acetamideSCHEMBL543293SCHEMBL29938908DTXSID501002884BDBM50417144MFCD35054649Acetamide, N-(3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)-N-(3',6'-Dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-5-yl)ethanimidic acid
Show more names
Acetamide, N-(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-
N-(3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)ethanimidic acid
Database identifiers
- CAS
82779-14-4- PubChem CID
- 134089
- DTXSID
DTXSID501002884- ChEMBL
CHEMBL5285693- Nikkaji
- J1.827.436A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Melting point
- 240 °C · 240 °C (decomp)
- Boiling point
- 748.693 · 748.693±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.598 · 1.598±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.325 · 9.325±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…