1-O-[O-(N-Acetyl-A-Neuraminosyl)-(2,3)-O-[O-Ss-D-Galactopyranosyl-(1,3)-2-Acetamido-2-Deoxy-Ss-D-Galactopyranosyl-[1,4]]-O-Ss-D-Galactopyranosyl-[1,4]-Ss-D-Glucopyranosyl]Ceramide
[CAS# 104443-62-1]

Identification

• Name: 1-O-[O-(N-Acetyl-A-Neuraminosyl)-(2,3)-O-[O-Ss-D-Galactopyranosyl-(1,3)-2-Acetamido-2-Deoxy-Ss-D-Galactopyranosyl-[1,4]]-O-Ss-D-Galactopyranosyl-[1,4]-Ss-D-Glucopyranosyl]Ceramide
• Molecular Formula: C₇₃H₁₃₁N₃O₃₁
• Molecular Weight: 1546.82
• CAS Registry Number: 104443-62-1
• SMILES: O=C(N[C@@H]5[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O[C@H]5O[C@@H]3[C@H](OCC(O)C(O)[C@@H]2O[C@](O)(C(=O)O)C[C@H](O)[C@H]2NC(=O)C)[C@@H](O)[C@@H](O[C@@H]3CO)O[C@@H]4[C@H](O[C@@H](OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)[C@H](O)[C@H]4O)CO)CO)C
• InChI: 1S/C73H131N3O31/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(86)76-44(45(83)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)40-99-69-61(93)59(91)63(50(38-79)102-69)104-71-62(94)67(98-41-47(85)55(87)66-53(74-42(3)81)46(84)35-73(97,107-66)72(95)96)64(51(39-80)103-71)105-68-54(75-43(4)82)65(57(89)49(37-78)100-68)106-70-60(92)58(90)56(88)48(36-77)101-70/h31,33,44-51,53-71,77-80,83-85,87-94,97H,5-30,32,34-41H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,95,96)/b33-31+/t44?,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-,71-,73-/m0/s1
• InChIKey: CNLVNZJJSHZYAS-ALSOZVJRSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 1527.026°C at 760 mmHg (Cal.)
• Flash point: 877.314°C (Cal.)
• Refractive index: 1.589 (Cal.)