(2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid

Base Information

• Chemical Name: (2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid
• CAS No.: 126723-16-8
• Molecular Formula: C27H29 N3 O9
• Molecular Weight: 539.53
• UNII: DXC2N2YQ56
• DSSTox Substance ID: DTXSID501103755
• Nikkaji Number: J777.032D
• Mol file: 126723-16-8.mol

Synonyms:(2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid;[1,1'-Biphenyl]-3,3'-dipropanoic acid, alpha3,alpha3'-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6'-dihydroxy-, (alpha3S,alpha3'S)-;DXC2N2YQ56;DTXSID501103755;[1,1'-Biphenyl]-3,3'-dipropanoic acid, alpha,alpha'-diamino-5-[4-[(2S)-2-amino-2-carboxyethyl]phenoxy]-6,6'-dihydroxy-, (alphaS,alpha'S)-

Chemical Property of (2S)-2-amino-3-[4-[5-[(2S)-2-amino-2-carboxyethyl]-3-[5-[(2S)-2-amino-2-carboxyethyl]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid

Chemical Property:

• Vapor Pressure: 1.68E-25mmHg at 25°C
• Boiling Point: 778.3°Cat760mmHg
• Flash Point: 424.5°C
• PSA: 239.65000
• Density: 1.473g/cm³
• LogP: 3.52120
• XLogP3: -5.6
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 539.19037951
• Heavy Atom Count: 39
• Complexity: 837

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC(=CC(=C2O)C3=C(C=CC(=C3)CC(C(=O)O)N)O)CC(C(=O)O)N
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)OC2=CC(=CC(=C2O)C3=C(C=CC(=C3)C[C@@H](C(=O)O)N)O)C[C@@H](C(=O)O)N