[3-[(1Z,3Z,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxydeca-1,3,9-Trienyl]Cyclohexyl] 5-Methylhexanoate
[CAS# 145142-81-0]

Identification

• Name: [3-[(1Z,3Z,9E)-8-(2-Aminoethyl)-10-(3-Ethyl-6-Oxo-2,3-Dihydropyran-2-Yl)-5,8-Dihydroxy-7-Phosphonooxydeca-1,3,9-Trienyl]Cyclohexyl] 5-Methylhexanoate
• Synonyms: [3-[(1Z,3Z,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] 5-Methylhexanoate; 5-Methylhexanoic Acid [3-[(1Z,3Z,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; 5-Methylhexanoic Acid [3-[(1Z,3Z,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: C₃₂H₅₂NO₁₀P
• Molecular Weight: 641.74
• CAS Registry Number: 145142-81-0
• SMILES: C(C(O)(C(O[P](=O)(O)O)CC(O)\C=C/C=C\C1CC(OC(=O)CCCC(C)C)CCC1)\C=C\C2OC(=O)C=CC2CC)CN
• InChI: 1S/C32H52NO10P/c1-4-25-15-16-31(36)42-28(25)17-18-32(37,19-20-33)29(43-44(38,39)40)22-26(34)12-6-5-10-24-11-8-13-27(21-24)41-30(35)14-7-9-23(2)3/h5-6,10,12,15-18,23-29,34,37H,4,7-9,11,13-14,19-22,33H2,1-3H3,(H2,38,39,40)/b10-5-,12-6-,18-17+
• InChIKey: SNWWAFHAEURECF-OFOCFSLPSA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 811.707°C at 760 mmHg (Cal.)
• Flash point: 444.705°C (Cal.)