[(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid

Base Information

• Chemical Name: [(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid
• CAS No.: 909725-63-9
• Molecular Formula: C16H27 N2 O4 P
• Molecular Weight: 342.37
• DSSTox Substance ID: DTXSID501160595
• ChEMBL ID: CHEMBL1221650
• Mol file: 909725-63-9.mol

Synonyms:909725-63-9;[(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid;CHEMBL1221650;1246817-25-3;(S)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid;[(3S)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid;[(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic Acid Hydrobromide;phosphonic acid,[(3s)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-;SCHEMBL9951850;FWJRVGZWNDOOFH-HNNXBMFYSA-N;DTXSID501160595;BDBM50324677;Phosphonic acid, [(3S)-3-amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]-;W140;SR-01000695419-1;W140_02-01

Chemical Property of [(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid

Chemical Property:

• PSA: 122.46000
• Density: 1.233
• LogP: 3.41630
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 342.17084434
• Heavy Atom Count: 23
• Complexity: 400

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC(=CC=C1)NC(=O)C(CCP(=O)(O)O)N
• Isomeric SMILES: CCCCCCC1=CC(=CC=C1)NC(=O)[C@H](CCP(=O)(O)O)N
• Uses: Sphingosine-1-phosphate, analogs([(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid) and antagonists for use as medicaments for treating and/or preventing cardiovascular conditions in patients with Fabry disease.