[5-Hydroxy-6-[[5-Hydroxy-6-(Hydroxymethyl)-3-(3-Hydroxytetradecanoylamino)-4-(3-Hydroxytetradecanoyloxy)Oxan-2-Yl]Oxymethyl]-3-(3-Hydroxytetradecanoylamino)-4-(3-Hydroxytetradecanoyloxy)Oxan-2-Yl]Phosphonic Acid
[CAS# 131061-35-3]

Identification

• Name: [5-Hydroxy-6-[[5-Hydroxy-6-(Hydroxymethyl)-3-(3-Hydroxytetradecanoylamino)-4-(3-Hydroxytetradecanoyloxy)Oxan-2-Yl]Oxymethyl]-3-(3-Hydroxytetradecanoylamino)-4-(3-Hydroxytetradecanoyloxy)Oxan-2-Yl]Phosphonic Acid
• Synonyms: [5-Hydroxy-6-[[5-Hydroxy-6-(Hydroxymethyl)-3-(3-Hydroxytetradecanoylamino)-4-(3-Hydroxytetradecanoyloxy)Tetrahydropyran-2-Yl]Oxymethyl]-3-(3-Hydroxytetradecanoylamino)-4-(3-Hydroxytetradecanoyloxy)Tetrahydropyran-2-Yl]Phosphonic Acid; [5-Hydroxy-6-[[5-Hydroxy-6-(Hydroxymethyl)-4-(3-Hydroxy-1-Oxotetradecoxy)-3-[(3-Hydroxy-1-Oxotetradecyl)Amino]-2-Tetrahydropyranyl]Oxymethyl]-4-(3-Hydroxy-1-Oxotetradecoxy)-3-[(3-Hydroxy-1-Oxotetradecyl)Amino]-2-Tetrahydropyranyl]Phosphonic Acid; [5-Hydroxy-6-[[5-Hydroxy-3-(3-Hydroxytetradecanoylamino)-4-(3-Hydroxytetradecanoyloxy)-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]-3-(3-Hydroxytetradecanoylamino)-4-(3-Hydroxytetradecanoyloxy)Tetrahydropyran-2-Yl]Phosphonic Acid
• Molecular Formula: C₆₈H₁₂₉N₂O₁₉P
• Molecular Weight: 1309.74
• CAS Registry Number: 131061-35-3
• SMILES: C(C(NC1C(C(O)C(CO)OC1OCC2C(C(C(NC(CC(O)CCCCCCCCCCC)=O)C(O2)[P](=O)(O)O)OC(CC(O)CCCCCCCCCCC)=O)O)OC(CC(O)CCCCCCCCCCC)=O)=O)C(O)CCCCCCCCCCC
• InChI: 1S/C68H129N2O19P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)
• InChIKey: RXMIYVKPBNCKJG-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)