N-(2',4',5',7'-Tetrabromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)hexadecanamide
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Basic information
- CAS
114586-25-3- Standard SMILES
CCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)OC21c2cc(Br)c(O)c(Br)c2Oc2c1cc(Br)c(O)c2Br- InChIKey
TVDLMLYZIDNGFM-UHFFFAOYSA-N- Molecular formula
- C36H39Br4NO6
- Average molar mass
- 901.3 g/mol
- Monoisotopic mass
- 896.95109
Overview
concentrates near the cell membrane surface
Names & identifiers
- Preferred name
- N-(2',4',5',7'-Tetrabromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)hexadecanamide
- IUPAC
- N-(2',4',5',7'-tetrabromo-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)hexadecanamide
- English name
- 5-(N-hexadecanoyl)aminoeosin
- Molecular formula
- C36H39Br4NO6
- Molecular weight
- 901.31
Names & synonyms
5-(N-Hexadecanoyl)aminoeosin114586-25-3DTXSID70150788RefChem:926598DTXCID2073279N-(2',4',5',7'-Tetrabromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)hexadecanamideSCHEMBL29544563Hexadecanamide, N-(2',4',5',7'-tetrabromo-3',6'-dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-5-yl)-N-(2',4',5',7'-Tetrabromo-3',6'-dihydroxy-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthen]-5-yl)hexadecanamideHexadecanamide, N-(2',4',5',7'-tetrabromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)-
Database identifiers
- CAS
114586-25-3- PubChem CID
- 130754
- DTXSID
DTXSID70150788
Properties
Computed structural propertiesFilling in
- XLogP
- 12.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- Boiling point
- 830.5 · 830.5±65.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 6.94 · 6.94±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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