[(3R)-1-[(2R,4S,5R)-5,6-Dihydroxy-1-Oxo-4-Phosphonooxy-2-[[(3R)-3-Tetradecanoyloxytetradecanoyl]Amino]Hexan-3-Yl]Oxy-1-Oxotetradecan-3-Yl] Tetradecanoate
[CAS# 149118-02-5]

Identification

• Name: [(3R)-1-[(2R,4S,5R)-5,6-Dihydroxy-1-Oxo-4-Phosphonooxy-2-[[(3R)-3-Tetradecanoyloxytetradecanoyl]Amino]Hexan-3-Yl]Oxy-1-Oxotetradecan-3-Yl] Tetradecanoate
• Synonyms: [(1R)-1-[2-[(2S,3R)-3,4-Dihydroxy-1-[(1R)-2-Oxo-1-[[(3R)-3-Tetradecanoyloxytetradecanoyl]Amino]Ethyl]-2-Phosphonooxy-Butoxy]-2-Oxo-Ethyl]Dodecyl] Tetradecanoate; Tetradecanoic Acid [(1R)-1-[2-[(2S,3R)-3,4-Dihydroxy-1-[(1R)-2-Oxo-1-[[(3R)-1-Oxo-3-(1-Oxotetradecoxy)Tetradecyl]Amino]Ethyl]-2-Phosphonooxybutoxy]-2-Oxoethyl]Dodecyl] Ester; Myristic Acid [(1R)-1-[2-[(2S,3R)-3,4-Dihydroxy-1-[(1R)-2-Keto-1-[[(3R)-3-Tetradecanoyloxytetradecanoyl]Amino]Ethyl]-2-Phosphonooxy-Butoxy]-2-Keto-Ethyl]Dodecyl] Ester
• Molecular Formula: C₆₂H₁₁₈NO₁₄P
• Molecular Weight: 1132.59
• CAS Registry Number: 149118-02-5
• SMILES: [C@@H](OC(=O)CCCCCCCCCCCCC)(CCCCCCCCCCC)CC(=O)N[C@@H](C=O)C(OC(=O)C[C@H](OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)[C@@H](O[P](=O)(O)O)[C@H](O)CO
• InChI: 1S/C62H118NO14P/c1-5-9-13-17-21-25-27-31-35-39-43-47-58(68)74-53(45-41-37-33-29-23-19-15-11-7-3)49-57(67)63-55(51-64)61(62(56(66)52-65)77-78(71,72)73)76-60(70)50-54(46-42-38-34-30-24-20-16-12-8-4)75-59(69)48-44-40-36-32-28-26-22-18-14-10-6-2/h51,53-56,61-62,65-66H,5-50,52H2,1-4H3,(H,63,67)(H2,71,72,73)/t53-,54-,55+,56-,61?,62+/m1/s1
• InChIKey: BAVUZJNXMVFZBJ-QOANJGGGSA-N

Properties

• Density: 1.041g/cm³ (Cal.)