9H-fluoren-9-ylmethyl N-[(2S)-1-(tert-butoxy)-3-hydroxypropan-2-yl]carbamate

• ChemBase ID: 298251
• Molecular Formular: C22H27NO4
• Molecular Mass: 369.45408
• Monoisotopic Mass: 369.19400835
• SMILES: C(=O)(OCC1c2ccccc2c2ccccc12)N[C@@H](CO)COC(C)(C)C
• Canonical SMILES: OC[C@H](NC(=O)OCC1c2ccccc2c2c1cccc2)COC(C)(C)C
• InChI: InChI=1S/C22H27NO4/c1-22(2,3)27-13-15(12-24)23-21(25)26-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,24H,12-14H2,1-3H3,(H,23,25)/t15-/m0/s1
• InChIKey: CPEHAICNNOERSX-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-[(2S)-1-(tert-butoxy)-3-hydroxypropan-2-yl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[(2S)-1-(tert-butoxy)-3-hydroxypropan-2-yl]carbamate
• Synonyms: N-Fmoc-Ser(tBu)-ol; N-Fmoc-O-tert-butyl-D-serinol; (S)-2-(Fmoc-amino)-3-tert-butoxy-1-propanol; (S)-2-(Fmoc-氨基)-3-叔丁氧基-1-丙醇

Database IDs

• CAS Number: 438239-26-0
• MDL Number: MFCD04972278
• PubChem SID: 180683782
• PubChem CID: 7018006

CALCULATED PROPERTIES

• Acid pKa: 14.064661
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.3752186
• LogD (pH = 7.4): 3.3752186
• Log P: 3.3752186
• Molar Refractivity: 104.8102 cm^3
• Polarizability: 42.171005 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%