4-(Hydroxy(oxido)amino)-2-(2-(triphenylphosphoranyl)ethyl)-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
65273-54-3- Standard SMILES
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
GZPIXDGQNQSUBZ-UHFFFAOYSA-N- Molecular formula
- C28H22N2O4P+
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 481.13171918
Names & identifiers
- Preferred name
- 4-(Hydroxy(oxido)amino)-2-(2-(triphenylphosphoranyl)ethyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium
Names & synonyms
NSC 2709014-(Hydroxy(oxido)amino)-2-(2-(triphenylphosphoranyl)ethyl)-1H-isoindole-1,3(2H)-dione65273-54-3NSC270901E6VH6AP4MRCHEMBL33061542-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl-triphenyl-phosphonium[2-(1,3-Dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)ethyl]triphenylphosphonium[2-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]triphenylphosphaniumPhosphonium, [2-(1,3-dihydro-4-nitro-1,3-dioxo-2H-isoindol-2-yl)ethyl]triphenyl-769066-15-1
Database identifiers
- CAS
65273-54-3、769066-15-1- PubChem CID
- 494200
- ChEMBL
CHEMBL3306154- UNII
- E6VH6AP4MR
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 1
- Complexity
- 735
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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