5-(Hydroxy(oxido)amino)-2-(2-(triphenylphosphoranyl)ethyl)-1H-isoindole-1,3(2H)-dione

HCID 494201

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Basic information

CAS: 65273-57-6
Standard SMILES: O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: WRRQPLMTPKZURZ-UHFFFAOYSA-N
Molecular formula: C28H22N2O4P+
Average molar mass: 481.5 g/mol
Monoisotopic mass: 481.13171918

Names & identifiers

Preferred name: 5-(Hydroxy(oxido)amino)-2-(2-(triphenylphosphoranyl)ethyl)-1H-isoindole-1,3(2H)-dione
IUPAC: 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl-triphenylphosphanium

Names & synonyms

5-(Hydroxy(oxido)amino)-2-(2-(triphenylphosphoranyl)ethyl)-1H-isoindole-1,3(2H)-dione65273-57-6NSC 270902NSC27090229Y5B2MC4TCHEMBL3306459DTXSID202155982-(5-nitro-1,3-dioxo-isoindolin-2-yl)ethyl-triphenyl-phosphonium[2-(1,3-Dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)ethyl]triphenylphosphonium[2-(5-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]tri(phenyl)phosphanium[2-(5-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]triphenylphosphaniumPhosphonium, [2-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)ethyl]triphenyl-

Show more names

763873-18-3

Database identifiers

CAS: 65273-57-6、763873-18-3
PubChem CID: 494201
DTXSID: DTXSID20215598
ChEMBL: CHEMBL3306459

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 83.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 1
Complexity: 735

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