9H-fluoren-9-ylmethyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate

• ChemBase ID: 169323
• Molecular Formular: C22H27NO4
• Molecular Mass: 369.45408
• Monoisotopic Mass: 369.19400835
• SMILES: c1ccc2c(c1)C(c1c2cccc1)COC(=O)NCCCCC(CO)CO
• Canonical SMILES: OCC(CCCCNC(=O)OCC1c2ccccc2c2c1cccc2)CO
• InChI: InChI=1S/C22H27NO4/c24-13-16(14-25)7-5-6-12-23-22(26)27-15-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,16,21,24-25H,5-7,12-15H2,(H,23,26)
• InChIKey: JQTRZMDYCYLHBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
• Synonyms: 2-(N-Fmoc-4-aminobutyl)-1,3-propanediol

Database IDs

• CAS Number: 147190-31-6
• PubChem SID: 162263455
• PubChem CID: 5057696

CALCULATED PROPERTIES

• Acid pKa: 15.034251
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.7447782
• LogD (pH = 7.4): 2.7447782
• Log P: 2.7447782
• Molar Refractivity: 105.3044 cm^3
• Polarizability: 42.0972 Å^3
• Polar Surface Area: 78.79 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Chloroform; Ethyl Acetate
• Apperance: White Solid
• Melting Point: 88-90°C

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - F620000

A useful synthetic intermediate for oligonucleotide synthesis.

REFERENCES

• Nucleic Acids Research, 20, 23 (1993)