ol

• ChemBase ID: 172962
• Molecular Formular: C10H20FNO4P
• Molecular Mass: 268.2422642
• Monoisotopic Mass: 268.11139798
• SMILES: C1(CC(N(C(C1)(C)C)[O])(C)C)OP(=O)(OC)F
• Canonical SMILES: COP(=O)(OC1CC(C)(C)N(C(C1)(C)C)[O])F
• InChI: InChI=1S/C10H20FNO4P/c1-9(2)6-8(16-17(11,14)15-5)7-10(3,4)12(9)13/h8H,6-7H2,1-5H3
• InChIKey: DHXMDYMRGVNYRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 4-[(Fluoromethoxyphosphinyl)oxy]-2,2,6,6-tetramethyl-1-piperidinyloxy; 4-Methoxyfluorophosphinyloxy-TEMPO

Database IDs

• CAS Number: 181702-77-2
• PubChem SID: 164228872
• PubChem CID: 71750081

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.95482385
• LogD (pH = 7.4): 0.95482385
• Log P: 0.95482385
• Molar Refractivity: 61.4665 cm^3
• Polarizability: 24.714865 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M262615

A spin label.

REFERENCES

• Stalc, A. et al.: Pfluegers Archiv., 431, R227 (1996)