N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide
[CAS# 88506-68-7]

Identification

• Name: N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-mannopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]pentacosanamide
• Molecular Formula: C₆₃H₁₁₈N₂O₁₈
• Molecular Weight: 1191.61
• CAS Registry Number: 88506-68-7
• SMILES: CC(=O)N[C@@H]3[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]3O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)C(O)[C@H]2O
• InChI: 1S/C63H118N2O18/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-51(71)65-46(47(70)39-37-35-33-31-29-27-17-15-13-11-9-7-5-2)44-78-62-57(76)55(74)60(49(42-67)80-62)83-63-58(77)56(75)59(50(43-68)81-63)82-61-52(64-45(3)69)54(73)53(72)48(41-66)79-61/h37,39,46-50,52-63,66-68,70,72-77H,4-36,38,40-44H2,1-3H3,(H,64,69)(H,65,71)/b39-37+/t46-,47+,48+,49+,50+,52+,53-,54+,55+,56+,57?,58+,59-,60+,61-,62+,63-/m0/s1
• InChIKey: KQEYYQSVAUWHOM-AEBCTMJPSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 1214.25°C at 760 mmHg (Cal.)
• Flash point: 688.154°C (Cal.)