9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate

• ChemBase ID: 52895
• Molecular Formular: C24H23NO3
• Molecular Mass: 373.44432
• Monoisotopic Mass: 373.1677936
• SMILES: c1cccc(c1)C[C@H](NC(=O)OCC1c2c(c3c1cccc3)cccc2)CO
• Canonical SMILES: OC[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C24H23NO3/c26-15-18(14-17-8-2-1-3-9-17)25-24(27)28-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23,26H,14-16H2,(H,25,27)/t18-/m0/s1
• InChIKey: SJGBJASOHDROCR-SFHVURJKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
• Synonyms: (S)-(9H-Fluoren-9-yl)methyl 1-hydroxy-3-phenylpropan-2-ylcarbamate

Database IDs

• CAS Number: 129397-83-7
• MDL Number: MFCD00235941
• PubChem SID: 162057658
• PubChem CID: 7019531

CALCULATED PROPERTIES

• Acid pKa: 14.342987
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.381369
• LogD (pH = 7.4): 4.381369
• Log P: 4.381369
• Molar Refractivity: 109.3287 cm^3
• Polarizability: 43.74411 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%