6-Deoxyhexopyranosyl-(1->3)-[Hexopyranosyl-(1->4)]-2-Acetamido-2-Deoxyhexopyranosyl-(1->3)Hexopyranosyl-(1->4)Hexose
[CAS# 25541-09-7]

Identification

• Name: 6-Deoxyhexopyranosyl-(1->3)-[Hexopyranosyl-(1->4)]-2-Acetamido-2-Deoxyhexopyranosyl-(1->3)Hexopyranosyl-(1->4)Hexose
• Synonyms: Lacto-N-fucopentaose- III; Lewis-X pentasaccharide; Lex-lactose
• Molecular Formula: C₃₂H₅₅NO₂₅
• Molecular Weight: 853.77
• CAS Registry Number: 25541-09-7
• SMILES: O=CC(O)C(O)C(OC4OC(C(O)C(OC3OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(OC2OC(C)C(O)C(O)C2O)C3NC(=O)C)C4O)CO)C(O)CO
• InChI: 1S/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)57-27-15(33-9(2)39)29(54-14(7-38)26(27)56-31-23(49)21(47)18(44)12(5-36)52-31)58-28-19(45)13(6-37)53-32(24(28)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)
• InChIKey: WMYQZGAEYLPOSX-UHFFFAOYSA-N

Properties

• Density: 1.717g/cm³ (Cal.)
• Boiling point: 1264.609°C at 760 mmHg (Cal.)
• Flash point: 718.61°C (Cal.)
• Refractive index: 1.656 (Cal.)