(L-MeAbu5)nodularin

Base Information

• Chemical Name: (L-MeAbu5)nodularin
• CAS No.: 146235-53-2
• Molecular Formula: C41H62 N8 O10
• Molecular Weight: 826.9786

Synonyms:(L-MeAbu5)nodularin;146235-53-2;Cyclo(N-methyl-L-2-aminobutanoyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-3-aminodecanoyl-D-gamma-glutamyl)

Chemical Property of (L-MeAbu5)nodularin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1055.2°C at 760 mmHg
• PKA: 3.05±0.70(Predicted)
• Flash Point: 591.9°C
• PSA: 324.41000
• Density: 1.26g/cm³
• LogP: 4.94840
• XLogP3: -3.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 26
• Exact Mass: 826.45889020
• Heavy Atom Count: 59
• Complexity: 1630

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)N(C(=O)C(=C(C=CC(=CC(C)C(CC1=CC=CC=C1)OC)C)N)C)C(C=O)(C(C)CC(C(=O)CCC(C(=O)O)N)(C(=O)CC(C(=O)O)N)N=C(N)N)NC
• Isomeric SMILES: CCCC(=O)N(C(=O)/C(=C(/C=C/C(=C/[C@H](C)[C@H](CC1=CC=CC=C1)OC)/C)\N)/C)[C@@](C=O)([C@@H](C)CC(C(=O)CC[C@@H](C(=O)O)N)(C(=O)C[C@@H](C(=O)O)N)N=C(N)N)NC

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