1-O-[O-(N-Acetyl-A-Neuraminosyl)-(28)-O-(N-Acetyl-A-Neuraminosyl)-(23)-O-Ss-D-Galactopyranosyl-(14)-SS-D-Glucopyranosyl]-Ceramide
[CAS# 104443-61-0]

Identification

• Name: 1-O-[O-(N-Acetyl-A-Neuraminosyl)-(28)-O-(N-Acetyl-A-Neuraminosyl)-(23)-O-Ss-D-Galactopyranosyl-(14)-SS-D-Glucopyranosyl]-Ceramide
• Molecular Formula: C₇₇H₁₃₉N₃O₂₉
• Molecular Weight: 1570.93
• CAS Registry Number: 104443-61-0
• SMILES: O[C@@H](C1O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)C2O[C@@](C[C@H](O)[C@H]2NC(C)=O)(O[C@@H]3[C@@H](O)[C@@H](O[C@H](CO)[C@@H]3O)O[C@@H]4[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)C(O)[C@H]4O)C(O)=O)C(=O)O)[C@H](O)CO
• InChI: 1S/C77H139N3O29/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-59(91)80-51(52(87)40-38-36-34-32-30-28-18-16-14-12-10-8-6-2)48-102-72-66(96)65(95)68(58(47-84)104-72)105-73-67(97)71(63(93)56(45-82)103-73)109-77(75(100)101)43-54(89)61(79-50(4)86)70(108-77)64(94)57(46-83)106-76(74(98)99)42-53(88)60(78-49(3)85)69(107-76)62(92)55(90)44-81/h38,40,51-58,60-73,81-84,87-90,92-97H,5-37,39,41-48H2,1-4H3,(H,78,85)(H,79,86)(H,80,91)(H,98,99)(H,100,101)/b40-38+/t51-,52+,53-,54-,55+,56+,57+,58+,60+,61+,62+,63-,64+,65+,66?,67+,68+,69?,70?,71-,72+,73-,76+,77-/m0/s1
• InChIKey: JPESBGCWGOEENH-WVACAQQXSA-N

Properties

• Density: 1.301g/cm³ (Cal.)
• Boiling point: 1509.342°C at 760 mmHg (Cal.)
• Flash point: 866.619°C (Cal.)
• Refractive index: 1.576 (Cal.)