O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-Glucose
[CAS# 127783-56-6]

Identification

• Name: O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-Glucose
• Molecular Formula: C₅₃H₈₉N₃O₃₉
• Molecular Weight: 1392.27
• CAS Registry Number: 127783-56-6
• SMILES: OCC(O)C(O)C1OC(CC(O)C1NC(C)=O)(OC2C(O)C(OC(CO)C2O)OC4C(NC(C)=O)C(OC(COC3CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C4O)OC6C(O)C(CO)OC(OC(C(O)CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C=O)C6O)C(O)=O
• InChI: 1S/C53H89N3O39/c1-14-31(72)37(78)38(79)49(85-14)90-41(22(70)9-59)42(23(71)10-60)91-50-39(80)46(34(75)24(11-61)86-50)93-48-30(56-17(4)65)44(36(77)26(88-48)13-84-27-5-18(66)28(54-15(2)63)43(89-27)32(73)20(68)7-57)92-51-40(81)47(35(76)25(12-62)87-51)95-53(52(82)83)6-19(67)29(55-16(3)64)45(94-53)33(74)21(69)8-58/h9,14,18-51,57-58,60-62,66-81H,5-8,10-13H2,1-4H3,(H,54,63)(H,55,64)(H,56,65)(H,82,83)
• InChIKey: KJKXUFHSXFKOSF-UHFFFAOYSA-N

Properties

• Density: 1.723g/cm³ (Cal.)
• Boiling point: 1703.861°C at 760 mmHg (Cal.)
• Flash point: 984.26°C (Cal.)
• Refractive index: 1.667 (Cal.)