2-[2-[(5S,6S,7R,9R,18S,19R)-19-Amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

Base Information

• Chemical Name: 2-[2-[(5S,6S,7R,9R,18S,19R)-19-Amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
• CAS No.: 136379-60-7
• Molecular Formula: C34H59 N O13
• Molecular Weight: 689.83
• DSSTox Substance ID: DTXSID40893271
• Wikipedia: Fumonisin_B4
• Mol file: 136379-60-7.mol

Synonyms:fumonisin B4

Chemical Property of 2-[2-[(5S,6S,7R,9R,18S,19R)-19-Amino-6-(3,4-dicarboxybutanoyloxy)-18-hydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

Chemical Property:

• Vapor Pressure: 3.04E-31mmHg at 25°C
• Boiling Point: 821.1°Cat760mmHg
• Flash Point: 450.4°C
• PSA: 248.05000
• Density: 1.19g/cm³
• LogP: 5.32290
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 31
• Exact Mass: 689.39864094
• Heavy Atom Count: 48
• Complexity: 1000

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)C(C(CC(C)CCCCCCCCC(C(C)N)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
• Isomeric SMILES: CCCC[C@H](C)[C@@H]([C@@H](C[C@H](C)CCCCCCCC[C@@H]([C@@H](C)N)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O