(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid

Base Information

• Chemical Name: (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid
• CAS No.: 266359-48-2
• Molecular Formula: C21H23NO4S
• Molecular Weight: 385.48
• DSSTox Substance ID: DTXSID80949468
• Nikkaji Number: J3.656.323K
• Wikidata: Q82927381
• Mol file: 266359-48-2.mol

Synonyms:1217832-67-1;Fmoc-L-beta-homomethionine;(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid;266359-48-2;(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-(methylthio)pentanoic acid;(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methylsulfanylpentanoic acid;(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-(methylsulfanyl)pentanoic acid;starbld0017881;Fmoc-beta-Homo-Met-OH;DTXSID80949468;XYWOGXWKXWWADY-CQSZACIVSA-N;AKOS015900697;AC-22085;PS-12243;J3.656.323K;EN300-816980;(S)-3-[(9H-Fluorene-9-ylmethoxycarbonyl)amino]-5-(methylthio)pentanoic acid;3-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-5-(methylsulfanyl)pentanoic acid

Chemical Property of (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(methylsulfanyl)pentanoic acid

Chemical Property:

• Vapor Pressure: 4.57E-16mmHg at 25°C
• Refractive Index: 1.607
• Boiling Point: 616.692 °C at 760 mmHg
• PKA: 4.31±0.10(Predicted)
• Flash Point: 326.764 °C
• PSA: 100.93000
• Density: 1.259 g/cm³
• LogP: 4.51240
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 385.13477939
• Heavy Atom Count: 27
• Complexity: 492

Purity/Quality:

97% ^*data from raw suppliers

Fmoc-L-beta-homomethionine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Isomeric SMILES: CSCC[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Uses: Fmoc-l-beta-homomethionine