[3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 2-methylbutanoate

Base Information

• Chemical Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 2-methylbutanoate
• CAS No.: 126605-70-7
• Molecular Formula: C30H48 N O10 P
• Molecular Weight: 613.68
• Nikkaji Number: J2.410.224F
• Mol file: 126605-70-7.mol

Synonyms:phosphazomycin C;phosphazomycin C complex

Chemical Property of [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 2-methylbutanoate

Chemical Property:

• Vapor Pressure: 1.75E-29mmHg at 25°C
• Boiling Point: 798.5°Cat760mmHg
• Flash Point: 436.7°C
• PSA: 195.65000
• Density: 1.25g/cm³
• LogP: 4.32000
• XLogP3: 0
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 17
• Exact Mass: 613.30158373
• Heavy Atom Count: 42
• Complexity: 1040

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C=CC(=O)OC1C=CC(CCN)(C(CC(C=CC=CC2CCCC(C2)OC(=O)C(C)CC)O)OP(=O)(O)O)O
• Isomeric SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)C(C)CC)O)OP(=O)(O)O)O