2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid

• ChemBase ID: 103265
• Molecular Formular: C17H15NO4
• Molecular Mass: 297.3053
• Monoisotopic Mass: 297.10010797
• SMILES: OC(=O)CNC(=O)OCC1c2c(cccc2)c2c1cccc2
• Canonical SMILES: OC(=O)CNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)
• InChIKey: NDKDFTQNXLHCGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid
• IUPAC Traditional name: {[(9H-fluoren-9-ylmethoxy)carbonyl]amino}acetic acid
• Synonyms: Fmoc-glycine; Fmoc-Gly-OH; Fmoc-Gly-OH; N-α-FMOC-GLYCINE; N-(9-Fluorenylmethoxycarbonyl)-glycine; N-Fmoc-glycine; Fmoc-甘氨酸; N-Fmoc-甘氨酸

Database IDs

• CAS Number: 29022-11-5
• EC Number: 249-373-3
• MDL Number: MFCD00037140
• Beilstein Number: 2163967
• PubChem SID: 162090930; 24871231
• PubChem CID: 93124

CALCULATED PROPERTIES

• Acid pKa: 3.7183595
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6954838
• LogD (pH = 7.4): -0.8214305
• Log P: 2.476553
• Molar Refractivity: 80.0832 cm^3
• Polarizability: 32.151886 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172-175°C; 174-175 °C(lit.); 174-178 °C

Safety Information

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

Product Information

• Purity: ≥98.0% (T); 98%
• Empirical Formula (Hill Notation): C17H15NO4

DETAILS

Sigma Aldrich - 47627

Other Notes
Fmoc-glycine coupling of saccharide β-glycosylamines for the fractionation of oligosaccharides and formation of neoglycoconjugates.1
Packaging
5, 50 g in glass bottle