(9H-fluoren-9-yl)methyl N-[3-hydroxy-1-(hydroxymethyl)cyclopentyl]carbamate

• ChemBase ID: 812203
• Molecular Formular: C21H23NO4
• Molecular Mass: 353.41162
• Monoisotopic Mass: 353.16270822
• SMILES: N(C(=O)OCC1c2ccccc2c2ccccc12)C1(CC(CC1)O)CO
• Canonical SMILES: OCC1(CCC(C1)O)NC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H23NO4/c23-13-21(10-9-14(24)11-21)22-20(25)26-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,14,19,23-24H,9-13H2,(H,22,25)
• InChIKey: PDFBUPGLPQMZHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-yl)methyl N-[3-hydroxy-1-(hydroxymethyl)cyclopentyl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[3-hydroxy-1-(hydroxymethyl)cyclopentyl]carbamate
• Synonyms: (3-HYDROXY-1-HYDROXYMETHYL-CYCLOPENTYL)-CARBAMIC ACID 9H-FLUOREN-9-YLMETHYL ESTER

CALCULATED PROPERTIES

• Acid pKa: 13.997379
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.1274257
• LogD (pH = 7.4): 2.1274254
• Log P: 2.1274257
• Molar Refractivity: 98.2196 cm^3
• Polarizability: 39.52138 Å^3
• Polar Surface Area: 78.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%