(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-nitrophenyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-nitrophenyl)butanoic acid
• CAS No.: 270062-88-9
• Molecular Formula: C₂₅H₂₂N₂O₆
• Molecular Weight: 446.459
• DSSTox Substance ID: DTXSID701141066
• Mol file: 270062-88-9.mol

Synonyms:270062-88-9;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-nitrophenyl)butanoic acid;Fmoc-(S)-3-Amino-4-(4-nitro-phenyl)-butyric acid;Fmoc-(S)-3-Amino-4-(4-nitrophenyl)butyric acid;(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitrophenyl)butanoic acid;Fmoc-4-nitro-L-beta-homophenylalanine;Fmoc-(S)-3-amino-4-(4-nitrophenyl)-butyric acid;HBORLQMDGYDDBJ-KRWDZBQOSA-N;DTXSID701141066;MFCD01861018;AKOS015948824;AC-22244;PS-12256;CS-0062158;EN300-816986;F15052;A877069;(S)-3-(Fmoc-amino)-4-(4-nitrophenyl)butanoic acid;FMOC-(S)-3-AMINO-4-(4-NITROPHENYL)-BUTYRICACID;(S)-N-(9-Fluorenylmethyloxycarbonyl)-3-amino-4-(4-nitrophenyl)butyric acid;(3S)-3-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-4-(4-NITROPHENYL)BUTANOIC ACID;(betaS)-beta-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-nitrobenzenebutanoic acid;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-nitrophenyl)butanoicacid;(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(4-nitrophenyl)butanoic acid

Chemical Property of (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-nitrophenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 9.1E-21mmHg at 25°C
• Boiling Point: 703.4°Cat760mmHg
• PKA: 4.30±0.10(Predicted)
• Flash Point: 379.2°C
• PSA: 121.45000
• Density: 1.345g/cm³
• LogP: 5.43340
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 446.14778643
• Heavy Atom Count: 33
• Complexity: 680

Purity/Quality:

98%min ^*data from raw suppliers

Fmoc-4-nitro-L-beta-homophenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)[N+](=O)[O-])CC(=O)O
• Uses: Fmoc-4-nitro-L-beta-homophenylalanine is used in the synthesis of guanidinoglycosides with inventive use of Mitsunobu conditions and diazabicycloundecene.