Phoslactomycin D
[CAS# 122856-28-4]

Identification

• Name: Phoslactomycin D
• 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] 4-Methylpentanoate; 4-Methylpentanoic 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; 4-Methylvaleric 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: C₃₁H₅₀NO₁₀P
• Molecular Weight: 627.71
• CAS Registry Number: 122856-28-4
• SMILES: C(C(O)(C(O[P](=O)(O)O)CC(O)\C=C\C=C\C1CC(OC(=O)CCC(C)C)CCC1)\C=C\C2OC(=O)C=CC2CC)CN
• InChI: 1S/C31H50NO10P/c1-4-24-13-15-30(35)41-27(24)16-17-31(36,18-19-32)28(42-43(37,38)39)21-25(33)10-6-5-8-23-9-7-11-26(20-23)40-29(34)14-12-22(2)3/h5-6,8,10,13,15-17,22-28,33,36H,4,7,9,11-12,14,18-21,32H2,1-3H3,(H2,37,38,39)/b8-5+,10-6+,17-16+
• InChIKey: AAYSLXZWMOLRDM-NAOUFDFXSA-N

Properties

• Density: 1.243g/cm³ (Cal.)
• Boiling point: 805.031°C at 760 mmHg (Cal.)
• Flash point: 440.667°C (Cal.)