2-[2-Hydroxy-6-[[2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]propanoic acid

Base Information

• Chemical Name: 2-[2-Hydroxy-6-[[2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]propanoic acid
• CAS No.: 54927-63-8
• Molecular Formula: C48H82 O16
• Molecular Weight: 916.31
• DSSTox Substance ID: DTXSID70203440
• Mol file: 54927-63-8.mol

Synonyms:septamycin;septamycin sodium salt

Chemical Property of 2-[2-Hydroxy-6-[[2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)oxolan-2-yl]oxolan-2-yl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-methoxy-5-(5-methoxy-6-methyloxan-2-yl)oxy-3,5-dimethyloxan-2-yl]propanoic acid

Chemical Property:

• Vapor Pressure: 1.25E-34mmHg at 25°C
• Melting Point: 101.5°C
• Refractive Index: 1.533
• Boiling Point: 861.9°C at 760 mmHg
• Flash Point: 236.6°C
• PSA: 188.52000
• Density: 1.2g/cm³
• LogP: 5.59210
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 13
• Exact Mass: 914.56028652
• Heavy Atom Count: 64
• Complexity: 1610

Purity/Quality:

99% ^*data from raw suppliers

SEPTAMYCIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(C(OC1C2CCC(O2)C3CCC(O3)C4(C(C(C5(O4)C(C(CC(O5)CC6C(C(C(C(O6)(C(C)C(=O)O)O)C)OC)(C)OC7CCC(C(O7)C)OC)OC)C)C)OC)C)(C)O)C