9H-fluoren-9-ylmethyl N-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate

• ChemBase ID: 288355
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: O=C(OCC1c2c(c3c1cccc3)cccc2)N[C@H](CO)[C@H](O)C
• Canonical SMILES: OC[C@H]([C@H](O)C)NC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18-/m1/s1
• InChIKey: YOKDHMTZJSRRIQ-KZULUSFZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate
• Synonyms: (9H-Fluoren-9-yl)methyl ((2R,3R)-1,3-dihydroxybutan-2-yl)carbamate

Database IDs

• CAS Number: 176380-53-3
• PubChem SID: 180673886
• PubChem CID: 7020321

CALCULATED PROPERTIES

• Acid pKa: 13.879539
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.0947077
• LogD (pH = 7.4): 2.0947075
• Log P: 2.0947077
• Molar Refractivity: 90.6722 cm^3
• Polarizability: 36.566353 Å^3
• Polar Surface Area: 78.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%