pentafluorophenyl 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetate

• ChemBase ID: 131858
• Molecular Formular: C23H14F5NO4
• Molecular Mass: 463.353576
• Monoisotopic Mass: 463.08429903
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)NCC(=O)Oc1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: O=C(NCC(=O)Oc1c(F)c(F)c(c(c1F)F)F)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C23H14F5NO4/c24-17-18(25)20(27)22(21(28)19(17)26)33-16(30)9-29-23(31)32-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,29,31)
• InChIKey: LBSDTBJWUJIFBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentafluorophenyl 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetate
• IUPAC Traditional name: pentafluorophenyl 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetate
• Synonyms: Fmoc-glycine pentafluorophenyl ester; Fmoc-Gly-OPfp; Fmoc-甘氨酸五氟苯酯

Database IDs

• CAS Number: 86060-85-7
• MDL Number: MFCD00037641
• Beilstein Number: 4219023
• PubChem SID: 24871028; 162226135
• PubChem CID: 2733282

CALCULATED PROPERTIES

• Acid pKa: 10.520953
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.9939113
• LogD (pH = 7.4): 4.9936237
• Log P: 4.993915
• Molar Refractivity: 105.7119 cm^3
• Polarizability: 40.591217 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C; 2-8°C

Product Information

• Purity: ≥97.0% (HPLC)
• Empirical Formula (Hill Notation): C23H14F5NO4

DETAILS

Sigma Aldrich - 47463

Packaging
5 g in poly bottle