O-(N-acetyl-a-neuraminosyl)-(2->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-D-Glucose
[CAS# 118023-86-2]

Identification

• Name: O-(N-acetyl-a-neuraminosyl)-(2->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-D-Glucose
• Molecular Formula: C₅₁H₈₅N₃O₃₉
• Molecular Weight: 1364.22
• CAS Registry Number: 118023-86-2
• SMILES: OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@@H]2[C@@H](O)[C@@H](O[C@H](CO)[C@@H]2O)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@@H]4[C@@H](O)[C@@H](O[C@H](CO)[C@@H]4O)O[C@@H]6[C@@H](CO)OC(O[C@@H]5[C@@H](O)[C@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)O[C@H](CO)[C@@H]5O)[C@H](NC(C)=O)[C@H]6O)C(O)=O
• InChI: 1S/C51H85N3O39/c1-13(63)52-25-16(66)4-51(50(80)81,92-41(25)29(71)18(68)6-56)93-44-32(74)22(10-60)84-49(37(44)79)89-40-24(12-62)86-46(27(34(40)76)54-15(3)65)91-43-31(73)21(9-59)83-48(36(43)78)88-39-23(11-61)85-45(26(33(39)75)53-14(2)64)90-42-30(72)20(8-58)82-47(35(42)77)87-38(19(69)7-57)28(70)17(67)5-55/h5,16-49,56-62,66-79H,4,6-12H2,1-3H3,(H,52,63)(H,53,64)(H,54,65)(H,80,81)/t16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45?,46-,47-,48-,49-,51-/m0/s1
• InChIKey: WUGAMWNNHSAGPE-ZDXMHWJZSA-N

Properties

• Density: 1.759g/cm³ (Cal.)
• Boiling point: 1706.076°C at 760 mmHg (Cal.)
• Flash point: 985.599°C (Cal.)
• Refractive index: 1.675 (Cal.)