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-[12-[(4-Azido-2-Nitrophenyl)Amino]Dodecanoylamino]-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)-5-[(2-Tritioacetyl)Amino]Oxane-2-Carboxylic Acid
[CAS 116926-94-4]

Identification

• Name: 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-[12-[(4-Azido-2-Nitrophenyl)Amino]Dodecanoylamino]-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)-5-[(2-Tritioacetyl)Amino]Oxane-2-Carboxylic Acid
• Synonyms: 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-[12-[(4-Azido-2-Nitro-Phenyl)Amino]Dodecanoylamino]-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)-5-[(2-Tritioacetyl)Amino]Tetrahydropyran-2-Carboxylic Acid; 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-[[12-[(4-Azido-2-Nitrophenyl)Amino]-1-Oxododecyl]Amino]-3-Hydroxyoctadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-3-Hydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-4-Hydroxy-5-[(1-Oxo-2-Tritioethyl)Amino]-6-(1,2,3-Trihydroxypropyl)-2-Tetrahydropyrancarboxylic Acid; 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-[12-[(4-Azido-2-Nitro-Phenyl)Amino]Dodecanoylamino]-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)-5-[(2-Tritioacetyl)Amino]Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₇₃H₁₂₁TN₈O₃₃
• Molecular Weight: 1641.81
• CAS Registry Number: 116926-94-4
• SMILES: [N+](=NC6=CC(=C(NCCCCCCCCCCCC(=O)NC(COC5OC(C(OC4OC(C(OC2OC(C(O)C(OC1OC(C(O)C(O)C1O)CO)C2NC(=O)C)CO)C(OC3(OC(C(NC(=O)C[3H])C(O)C3)C(O)C(O)CO)C(=O)O)C4O)CO)C(O)C5O)CO)C(O)\C=C\CCCCCCCCCCCCC)C=C6)[N+]([O-])=O)=[N-]
• InChI: 1S/C73H122N8O33/c1-4-5-6-7-8-9-10-11-12-14-17-20-23-26-45(89)43(78-52(92)27-24-21-18-15-13-16-19-22-25-30-75-42-29-28-41(79-80-74)31-44(42)81(103)104)38-105-69-61(99)59(97)63(50(36-85)108-69)110-71-62(100)67(114-73(72(101)102)32-46(90)53(76-39(2)87)66(113-73)55(93)47(91)33-82)64(51(37-86)109-71)111-68-54(77-40(3)88)65(57(95)49(35-84)106-68)112-70-60(98)58(96)56(94)48(34-83)107-70/h23,26,28-29,31,43,45-51,53-71,75,82-86,89-91,93-100H,4-22,24-25,27,30,32-38H2,1-3H3,(H,76,87)(H,77,88)(H,78,92)(H,101,102)/b26-23+/i2T
• InChIKey: PCZAVKSTJLZSAQ-PVZBSJBISA-N