Sialyllacto-N-neotetraose c

Base Information

• Chemical Name: Sialyllacto-N-neotetraose c
• CAS No.: 64003-55-0
• Molecular Formula: C₃₇H₆₁N₂O₂₉
• Molecular Weight: 997.887
• Wikidata: Q27162089
• Mol file: 64003-55-0.mol

Synonyms:Sialyllacto-N-neotetraose c;LS-tetrasaccharide c;SLNT-c;SCHEMBL21570084;CHEBI:89905;Q27162089;O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-D-Glucose;O-(N-acetyl-alpha-neuraminosyl)-(2->6)-O-beta-delta-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-delta-Glucose

Chemical Property of Sialyllacto-N-neotetraose c

Chemical Property:

• Boiling Point: 1446.9±65.0 °C(Predicted)
• PKA: 2.01±0.70(Predicted)
• PSA: 502.25000
• Density: 1.74±0.1 g/cm3(Predicted)
• LogP: -11.64940
• Storage Temp.: −20°C
• XLogP3: -11.8
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 22
• Exact Mass: 998.34382394
• Heavy Atom Count: 68
• Complexity: 1640

Purity/Quality:

98%Min ^*data from raw suppliers

LS-tetrasaccharidec ^*data from reagent suppliers

Safty Information:

• Hazard Codes: B

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)NC(=O)C)OC4C(C(OC(C4O)OC(C(CO)O)C(C(C=O)O)O)CO)O)CO)O)O)O)O
• Isomeric SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCC2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O)O)O

Technology Process of Sialyllacto-N-neotetraose c

There total 3 articles about Sialyllacto-N-neotetraose c which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

lacto-N-neo-tetraose (86594-19-6,115216-11-0,13007-32-4) + cytidine 5'-monophosphate-N-acetylneuraminic acid (55569-66-9) → (5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosylonic acid)-(2-6)-β-D-galactopyranosyl-(1-4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1-3)-β-D-galactopyranosyl-(1-4)-α,β-D-glucopyranoside (64003-55-0)

Guidance literature:

With Galβ1,4GlcNAcα2,6 sialyltransferase; sodium cacodylate; bovine serum albumin; at 37 ℃; for 22h; Yield given; pH=6.5;

DOI:10.1021/ja00268a056

Reference yield:

uridine 5'-diphospho-D-galactose (2956-16-3) → (5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosylonic acid)-(2-6)-β-D-galactopyranosyl-(1-4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1-3)-β-D-galactopyranosyl-(1-4)-α,β-D-glucopyranoside (64003-55-0)

Guidance literature:

Multi-step reaction with 2 steps

1: bovine serum albumin, 0.1M sodium cacodylate, 0.1M manganese chloride, galactosyltransferase / 6 h / 37 °C / pH=7.0

2: 0.1M sodium cacodylate, bovine serum albumin, Galβ1,4GlcNAcα2,6 sialyltransferase / 22 h / 37 °C / pH=6.5

With galactosyltransferase; Galβ1,4GlcNAcα2,6 sialyltransferase; sodium cacodylate; manganese(ll) chloride; bovine serum albumin;

DOI:10.1021/ja00268a056

Reference yield:

O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1->3)-O-(β-D-galactopyranosyl)-(1->4)-D-glucopyranoside (75645-27-1) → (5-acetamido-3,5-dideoxy-α-D-glycero-D-galacto-2-nonulopyranosylonic acid)-(2-6)-β-D-galactopyranosyl-(1-4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1-3)-β-D-galactopyranosyl-(1-4)-α,β-D-glucopyranoside (64003-55-0)

Guidance literature:

Multi-step reaction with 2 steps

1: bovine serum albumin, 0.1M sodium cacodylate, 0.1M manganese chloride, galactosyltransferase / 6 h / 37 °C / pH=7.0

2: 0.1M sodium cacodylate, bovine serum albumin, Galβ1,4GlcNAcα2,6 sialyltransferase / 22 h / 37 °C / pH=6.5

With galactosyltransferase; Galβ1,4GlcNAcα2,6 sialyltransferase; sodium cacodylate; manganese(ll) chloride; bovine serum albumin;

DOI:10.1021/ja00268a056

upstream raw materials:

lacto-N-neo-tetraose

cytidine 5'-monophosphate-N-acetylneuraminic acid

uridine 5'-diphospho-D-galactose

O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-(1->3)-O-(β-D-galactopyranosyl)-(1->4)-D-glucopyranoside