ol

• ChemBase ID: 168350
• Molecular Formular: C11H23NO4P
• Molecular Mass: 264.278381
• Monoisotopic Mass: 264.13646985
• SMILES: C1(CC(N(C(C1)(C)C)[O])(C)C)OP(=O)OCC
• Canonical SMILES: CCOP(=O)OC1CC(C)(C)N(C(C1)(C)C)[O]
• InChI: InChI=1S/C11H23NO4P/c1-6-15-17(14)16-9-7-10(2,3)12(13)11(4,5)8-9/h9,17H,6-8H2,1-5H3
• InChIKey: WSNGKWBKEVGMKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 4-Ethoxyhydrophosphinyloxy-TEMPO

Database IDs

• PubChem SID: 162262482
• PubChem CID: 71316522

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5871
• LogD (pH = 7.4): 0.5871
• Log P: 0.5871
• Molar Refractivity: 65.1986 cm^3
• Polarizability: 26.713158 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Brown Oil

DETAILS

Toronto Research Chemicals - E892240

A spin label.