5-Acetamido-2-[5-[3-Acetamido-5-Hydroxy-6-(Hydroxymethyl)-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-2-[6-[(E)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxyoctadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-3-Hydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Oxane-2-Carboxylic Acid
[CAS# 126586-85-4]

Identification

• Name: 5-Acetamido-2-[5-[3-Acetamido-5-Hydroxy-6-(Hydroxymethyl)-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-2-[6-[(E)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxyoctadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-3-Hydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Oxane-2-Carboxylic Acid
• Synonyms: 5-Acetamido-2-[5-[3-Acetamido-5-Hydroxy-6-(Hydroxymethyl)-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-[6-[(E)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-Octadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydropyran-2-Carboxylic Acid; 5-Acetamido-2-[[5-[[3-Acetamido-5-Hydroxy-6-(Hydroxymethyl)-4-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-[[6-[(E)-2-[(2,2-Dichloro-1-Oxoethyl)Amino]-3-Hydroxyoctadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-3-Hydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)-2-Tetrahydropyrancarboxylic Acid; 5-Acetamido-2-[5-[3-Acetamido-5-Hydroxy-6-Methylol-4-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-2-[6-[(E)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-Octadec-4-Enoxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₅₇H₉₇Cl₂N₃O₃₁
• Molecular Weight: 1391.30
• CAS Registry Number: 126586-85-4
• SMILES: C(O)C3OC(OC1C(O)C(O)C(OC1CO)OCC(NC(=O)C(Cl)Cl)C(O)\C=C\CCCCCCCCCCCCC)C(O)C(OC2(OC(C(NC(=O)C)C(O)C2)C(O)C(O)CO)C(=O)O)C3OC5OC(C(O)C(OC4OC(C(O)C(O)C4O)CO)C5NC(=O)C)CO
• InChI: 1S/C57H97Cl2N3O31/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(70)27(62-51(81)50(58)59)24-84-53-43(79)41(77)45(33(22-66)87-53)89-55-44(80)49(93-57(56(82)83)18-29(71)35(60-25(2)68)48(92-57)37(73)30(72)19-63)46(34(23-67)88-55)90-52-36(61-26(3)69)47(39(75)32(21-65)85-52)91-54-42(78)40(76)38(74)31(20-64)86-54/h16-17,27-50,52-55,63-67,70-80H,4-15,18-24H2,1-3H3,(H,60,68)(H,61,69)(H,62,81)(H,82,83)/b17-16+
• InChIKey: CQCBGDOXLXRPIU-WUKNDPDISA-N

Properties

• Density: 1.532g/cm³ (Cal.)
• Boiling point: 1539.755°C at 760 mmHg (Cal.)
• Flash point: 885.012°C (Cal.)