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

Base Information

• Chemical Name: [(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[(2S)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 7-methyloctanoate
• CAS No.: 145142-83-2
• Molecular Formula: C34H56 N O10 P
• Molecular Weight: 669.78
• Wikidata: Q105322947
• Mol file: 145142-83-2.mol

Synonyms:leustroducsin C;LSN C

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

Chemical Property:

• Vapor Pressure: 1.39E-31mmHg at 25°C
• Boiling Point: 825.3°Cat760mmHg
• Flash Point: 452.9°C
• PSA: 195.65000
• Density: 1.21g/cm³
• LogP: 5.88040
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 21
• Exact Mass: 669.36418398
• Heavy Atom Count: 46
• Complexity: 1100

Purity/Quality:

LEUSTRODUCSIN C 95.00% ^*data from reagent suppliers

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)CCCCCC(C)C)O)OP(=O)(O)O)O
• Isomeric SMILES: CCC1C=CC(=O)O[C@H]1/C=C/[C@](CCN)([C@@H](C[C@H](/C=C\C=C/[C@@H]2CCC[C@@H](C2)OC(=O)CCCCCC(C)C)O)OP(=O)(O)O)O