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

Base Information

• Chemical Name: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-iodophenyl)butanoic acid
• CAS No.: 270065-72-0
• Molecular Formula: C25H22INO4
• Molecular Weight: 527.35
• DSSTox Substance ID: DTXSID401142534
• Mol file: 270065-72-0.mol

Synonyms:270065-72-0;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-iodophenyl)butanoic acid;Fmoc-(S)-3-amino-4-(4-iodo-phenyl)-butyric acid;Fmoc-(S)-3-amino-4-(4-iodophenyl)-butyric acid;(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-iodophenyl)butanoic Acid;Fmoc-4-iodo-L-beta-homophenylalanine;Fmoc-(S)-3-Amino-4-(4-iodophenyl)butyric acid;DTXSID401142534;MFCD01861062;AKOS015948878;AC-22220;PS-12279;CS-0062062;W18431;(S)-3-(Fmoc-amino)-4-(4-iodophenyl)butanoic acid;(betaS)-beta-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-iodophenyl)butanoicacid;(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(4-iodophenyl)butanoic acid

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

Chemical Property:

• Vapor Pressure: 6.19E-19mmHg at 25°C
• Refractive Index: 1.657
• Boiling Point: 671.3 °C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 359.8 °C
• PSA: 75.63000
• Density: 1.541 g/cm³
• LogP: 5.60660
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 527.05936
• Heavy Atom Count: 31
• Complexity: 599

Purity/Quality:

99% ^*data from raw suppliers

Fmoc-(s)-3-amino-4-(4-iodo-phenyl)-butyricacid ^*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)I)CC(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)I)CC(=O)O