Phoslactomycin A
[CAS# 122856-25-1]

Identification

• Name: Phoslactomycin A
• Synonyms: [3-[(1E,3E,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxy-Deca-1,3,9-Trienyl]Cyclohexyl] 2-Methylpropanoate; 2-Methylpropanoic Acid [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] Ester; 2-Methylpropionic Acid [3-[(1E,3E,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Keto-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxy-Deca-1,3,9-Trienyl]Cyclohexyl] Ester
• Molecular Formula: C₂₉H₄₆NO₁₀P
• Molecular Weight: 599.66
• CAS Registry Number: 122856-25-1
• SMILES: C(C(O)(C(O[P](=O)(O)O)CC(O)\C=C\C=C\C1CC(OC(=O)C(C)C)CCC1)\C=C\C2OC(=O)C=CC2CC)CN
• InChI: 1S/C29H46NO10P/c1-4-22-12-13-27(32)39-25(22)14-15-29(34,16-17-30)26(40-41(35,36)37)19-23(31)10-6-5-8-21-9-7-11-24(18-21)38-28(33)20(2)3/h5-6,8,10,12-15,20-26,31,34H,4,7,9,11,16-19,30H2,1-3H3,(H2,35,36,37)/b8-5+,10-6+,15-14+
• InChIKey: LOAKADZNOAGFPM-XNHNZVDCSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 792.012°C at 760 mmHg (Cal.)
• Flash point: 432.793°C (Cal.)