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

• ChemBase ID: 157856
• Molecular Formular: C24H16F5NO4
• Molecular Mass: 477.380156
• Monoisotopic Mass: 477.0999491
• SMILES: CN(CC(=O)Oc1c(c(c(c(c1F)F)F)F)F)C(=O)OCC1c2ccccc2c2c1cccc2
• Canonical SMILES: O=C(Oc1c(F)c(F)c(c(c1F)F)F)CN(C(=O)OCC1c2ccccc2c2c1cccc2)C
• InChI: InChI=1S/C24H16F5NO4/c1-30(10-17(31)34-23-21(28)19(26)18(25)20(27)22(23)29)24(32)33-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3
• InChIKey: PJYXJFOLTCMMLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 159631-29-5
• MDL Number: MFCD00237662
• Beilstein Number: 7452048
• PubChem SID: 24844996; 162251992
• PubChem CID: 16211000

CALCULATED PROPERTIES

• Acid pKa: 17.404562
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2175913
• LogD (pH = 7.4): 5.2175913
• Log P: 5.2175913
• Molar Refractivity: 110.6086 cm^3
• Polarizability: 42.40478 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: ≥96.0%
• Empirical Formula (Hill Notation): C24H16F5NO4