Sodium [2-[5-Acetamido-6-[2-[6-[(E)-3-(Benzoyloxy)-2-(Tetracosanoylamino)Octadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-2-(Hydroxymethyl)-4-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyoxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Sulfate
[CAS# 162635-35-0]

Identification

• Name: Sodium [2-[5-Acetamido-6-[2-[6-[(E)-3-(Benzoyloxy)-2-(Tetracosanoylamino)Octadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-2-(Hydroxymethyl)-4-(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxyoxan-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl] Sulfate
• Synonyms: Sodium [2-[5-Acetamido-6-[2-[6-[(E)-3-(Benzoyloxy)-2-(Tetracosanoylamino)Octadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-2-(Hydroxymethyl)-4-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl] Sulfate; Sodium [2-[[5-Acetamido-6-[[2-[[4,5-Dihydroxy-2-(Hydroxymethyl)-6-[(E)-3-(Oxo-Phenylmethoxy)-2-(1-Oxotetracosylamino)Octadec-4-Enoxy]-3-Tetrahydropyranyl]Oxy]-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-2-(Hydroxymethyl)-4-[(3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-3-Tetrahydropyranyl]Oxy]-3,5-Dihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl] Sulfate; Sodium [2-[5-Acetamido-6-[2-[6-[(E)-3-(Benzoyloxy)-2-(Tetracosanoylamino)Octadec-4-Enoxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-2-Methylol-4-(3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-3-Yl]Oxy-3,5-Dihydroxy-6-Methylol-Tetrahydropyran-4-Yl] Sulfate
• Molecular Formula: C₈₁H₁₃₉N₂NaO₃₁S
• Molecular Weight: 1692.03
• CAS Registry Number: 162635-35-0
• SMILES: C6=C(C(OC(C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC5OC(C(OC4OC(C(O)C(OC3OC(C(OC1OC(C(O)C(O[S]([O-])(=O)=O)C1O)CO)C(OC2OC(C(O)C(O)C2O)C)C3NC(=O)C)CO)C4O)CO)C(O)C5O)CO)\C=C\CCCCCCCCCCCCC)=O)C=CC=C6.[Na+]
• InChI: 1S/C81H140N2O31S.Na/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-41-45-60(89)83-54(55(105-76(99)53-42-38-37-39-43-53)44-40-35-33-31-29-27-18-16-14-12-10-8-6-2)50-103-78-68(96)66(94)71(58(48-86)109-78)110-80-69(97)74(63(91)56(46-84)106-80)113-77-61(82-52(4)88)73(112-79-67(95)65(93)62(90)51(3)104-79)72(59(49-87)108-77)111-81-70(98)75(114-115(100,101)102)64(92)57(47-85)107-81;/h37-40,42-44,51,54-59,61-75,77-81,84-87,90-98H,5-36,41,45-50H2,1-4H3,(H,82,88)(H,83,89)(H,100,101,102);/q;+1/p-1/b44-40+
• InChIKey: XGFHUVUCQYBVJC-XFYDBFONSA-M