Rifamycin B, N-(4-morpholinyl)amide

Base Information

• Chemical Name: Rifamycin B, N-(4-morpholinyl)amide
• CAS No.: 13929-38-9
• Molecular Formula: C43H57N3O14
• Molecular Weight: 839.9244

Synonyms:Rifamycin B, N-(4-morpholinyl)amide;Rifamycin, 4-O-(2-(4-morpholinylamino)-2-oxoethyl)-;13929-38-9;Rifamycin, 4-O-[2-(4-morpholinylamino)-2-oxoethyl]-;Rifamycin B, N-(4-morpholinyl)-amide;[tetrahydroxy-methoxy-heptamethyl-[2-(morpholinoamino)-2-oxo-ethoxy]-dioxo-[?]yl] acetate

Chemical Property of Rifamycin B, N-(4-morpholinyl)amide

Chemical Property:

• PKA: 4.94±0.70(Predicted)
• PSA: 238.86000
• Density: 1.36g/cm³
• LogP: 4.65400
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 839.38405350
• Heavy Atom Count: 60
• Complexity: 1620

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)NN5CCOCC5)C
• Isomeric SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)NN5CCOCC5)/C

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