Ganglioside Gd2
[CAS# 65988-71-8]

Identification

• Name: Ganglioside Gd2
• Synonyms: (2S,4R,5S,6S)-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-[(E)-3-Hydroxy-2-(Octadecanoylamino)Octadec-4-Enoxy]Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-5-Amino-6-[3-[(2R,4R,5S,6S)-5-Amino-2-Carboxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydropyran-2-Yl]Oxy-1,2-Dihydroxy-Propyl]-4-Hydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,4R,5S,6S)-2-[[(2S,3R,4R,5S,6R)-5-[[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-[[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(Hydroxymethyl)-6-[(E)-3-Hydroxy-2-(1-Oxooctadecylamino)Octadec-4-Enoxy]-3-Tetrahydropyranyl]Oxy]-3-Hydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-5-Amino-6-[3-[[(2R,4R,5S,6S)-5-Amino-2-Carboxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)-2-Tetrahydropyranyl]Oxy]-1,2-Dihydroxypropyl]-4-Hydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,4R,5S,6S)-2-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-6-[(E)-3-Hydroxy-2-Stearamido-Octadec-4-Enoxy]-2-Methylol-Tetrahydropyran-3-Yl]Oxy-3-Hydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-5-Amino-6-[3-[(2R,4R,5S,6S)-5-Amino-2-Carboxy-4-Hydroxy-6-(1,2,3-Trihydroxypropyl)Tetrahydropyran-2-Yl]Oxy-1,2-Dihydroxy-Propyl]-4-Hydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₇₄H₁₃₄N₄O₃₂
• Molecular Weight: 1591.88
• CAS Registry Number: 65988-71-8
• SMILES: [C@@]4(O[C@H]3[C@@H](O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1NC(=O)C)CO)[C@H](O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)\C=C\CCCCCCCCCCCCC)[C@@H]3O)CO)(O[C@@H]([C@@H](N)[C@H](O)C4)C(O)C(O)CO[C@]5(O[C@@H]([C@@H](N)[C@H](O)C5)C(O)C(O)CO)C(=O)O)C(=O)O
• InChI: 1S/C74H134N4O32/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-52(89)78-43(44(84)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)40-101-69-61(95)60(94)63(50(38-81)104-69)106-70-62(96)67(64(51(39-82)105-70)107-68-55(77-42(3)83)59(93)58(92)49(37-80)103-68)110-74(72(99)100)35-46(86)54(76)66(109-74)57(91)48(88)41-102-73(71(97)98)34-45(85)53(75)65(108-73)56(90)47(87)36-79/h30,32,43-51,53-70,79-82,84-88,90-96H,4-29,31,33-41,75-76H2,1-3H3,(H,77,83)(H,78,89)(H,97,98)(H,99,100)/b32-30+/t43?,44?,45-,46-,47?,48?,49-,50-,51-,53+,54+,55-,56?,57?,58+,59-,60-,61-,62-,63-,64+,65+,66+,67-,68+,69-,70+,73-,74+/m1/s1
• InChIKey: FFILOTSTFMXQJC-QCFYAKGBSA-N

Properties

• Density: 1.382g/cm³ (Cal.)
• Boiling point: 1539.317°C at 760 mmHg (Cal.)
• Flash point: 884.747°C (Cal.)