6-Deoxyhexopyranosyl-(1->4)-[6-Deoxyhexopyranosyl-(1->2)Hexopyranosyl-(1->3)]-2-Acetamido-2-Deoxyhexopyranosyl-(1->3)-[6-Deoxyhexopyranosyl-(1->3)-[Hexopyranosyl-(1->4)]-2-Acetamido-2-Deoxyhexopyranos Yl-(1->6)]Hexopyranosyl-(1->4)Hexose
[CAS# 116883-09-1]

Identification

• Name: 6-Deoxyhexopyranosyl-(1->4)-[6-Deoxyhexopyranosyl-(1->2)Hexopyranosyl-(1->3)]-2-Acetamido-2-Deoxyhexopyranosyl-(1->3)-[6-Deoxyhexopyranosyl-(1->3)-[Hexopyranosyl-(1->4)]-2-Acetamido-2-Deoxyhexopyranos Yl-(1->6)]Hexopyranosyl-(1->4)Hexose
• Synonyms: TFLNH(a); Trifucosyllacto-N-hexaose a; Trifucosyllacto-N-hexaose- a
• Molecular Formula: C₅₈H₉₈N₂O₄₃
• Molecular Weight: 1511.39
• CAS Registry Number: 116883-09-1
• SMILES: O=CC(O)C(O)C(OC5OC(C(O)C(OC4OC(CO)C(OC1OC(C)C(O)C(O)C1O)C(OC3OC(CO)C(O)C(O)C3OC2OC(C(O)C(O)C2O)C)C4NC(=O)C)C5O)COC8OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(OC7OC(C)C(O)C(O)C7O)C8NC(=O)C)C(O)CO
• InChI: 1S/C58H98N2O43/c1-13-27(71)34(78)39(83)53(89-13)98-46-23(11-66)95-52(26(60-17(5)68)48(46)101-58-50(38(82)32(76)21(9-64)93-58)103-55-41(85)36(80)29(73)15(3)91-55)102-49-33(77)24(96-57(43(49)87)97-44(19(70)7-62)30(74)18(69)6-61)12-88-51-25(59-16(4)67)47(100-54-40(84)35(79)28(72)14(2)90-54)45(22(10-65)94-51)99-56-42(86)37(81)31(75)20(8-63)92-56/h6,13-15,18-58,62-66,69-87H,7-12H2,1-5H3,(H,59,67)(H,60,68)
• InChIKey: YOTBLRKYLWEPOA-UHFFFAOYSA-N

Properties

• Density: 1.734g/cm³ (Cal.)
• Boiling point: 1676.602°C at 760 mmHg (Cal.)
• Flash point: 967.773°C (Cal.)
• Refractive index: 1.671 (Cal.)