3-[(2S)-18-(2-carboxyethyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propanoic acid

Base Information

• Chemical Name: 3-[(2S)-18-(2-carboxyethyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propanoic acid
• CAS No.: 62888-19-1
• Molecular Formula: C31H34N4O4
• Molecular Weight: 526.6261
• Mol file: 62888-19-1.mol

Synonyms:bonellin

Chemical Property of 3-[(2S)-18-(2-carboxyethyl)-3,3,7,12,17-pentamethyl-22,23-dihydro-2H-porphyrin-2-yl]propanoic acid

Chemical Property:

• Boiling Point: 973.5°Cat760mmHg
• Flash Point: 542.5°C
• Density: 1.252g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 526.25800558
• Heavy Atom Count: 39
• Complexity: 898

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5C(C(C(=N5)C=C1N2)(C)C)CCC(=O)O)CCC(=O)O)C)C
• Isomeric SMILES: CC1=CC2=CC3=C(C=C(N3)C=C4C(=C(C(=N4)C=C5[C@H](C(C(=N5)C=C1N2)(C)C)CCC(=O)O)CCC(=O)O)C)C