diethyl [3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]phosphonate

• ChemBase ID: 297901
• Molecular Formular: C15H20NO5P
• Molecular Mass: 325.296761
• Monoisotopic Mass: 325.10790938
• SMILES: CCOP(=O)(CCCN1C(=O)c2ccccc2C1=O)OCC
• Canonical SMILES: CCOP(=O)(OCC)CCCN1C(=O)c2c(C1=O)cccc2
• InChI: InChI=1S/C15H20NO5P/c1-3-20-22(19,21-4-2)11-7-10-16-14(17)12-8-5-6-9-13(12)15(16)18/h5-6,8-9H,3-4,7,10-11H2,1-2H3
• InChIKey: GEXSXLVXVOLCPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl [3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propyl]phosphonate
• IUPAC Traditional name: diethyl 3-(1,3-dioxoisoindol-2-yl)propylphosphonate
• Synonyms: [3-(N-Phthalimido)propyl]phosphonic acid diethyl ester; Diethyl [3-(N-phthalimido)propyl]phosphonate; 3-(N-苯二酰亚胺)丙基磷酸二乙酯

Database IDs

• MDL Number: MFCD11110595
• PubChem SID: 180683432
• PubChem CID: 254241

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2653574
• LogD (pH = 7.4): 1.2653574
• Log P: 1.2653574
• Molar Refractivity: 82.8715 cm^3
• Polarizability: 31.78178 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%