difucosyllacto-N-hexaose
TL;DR: difucosyllacto-N-hexaose (CAS 210427-13-7) is a chemical compound with molecular formula C52H88N2O39 and molecular weight 1364.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Also Known As: Difucosyllacto-N-hexaose, GlyTouCan:G25019SW, G25019SW, 2-propenyl O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)-beta-D-Glucopyranoside, 2-propenyl O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-delta-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->6)]-O-beta-delta-galactopyranosyl-(1->4)-beta-delta-Glucopyranoside
| Molecular Formula | C52H88N2O39 |
|---|---|
| Molecular Weight | 1364.50 g/mol |
| LogP | -16.1092 |
| Topological Polar Surface Area | 641.71 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 39 |
| Rotatable Bonds | 22 |
| Exact Mass | 1364.4965 |
| Heavy Atoms | 93 |
| Complexity | 2345.1868 |
Chemical Identifiers
| CAS Number | 210427-13-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)O)O)O)NC(=O)C)O)CO)O)O)O |
Product Overview
difucosyllacto-N-hexaose (CAS 210427-13-7), with molecular formula C52H88N2O39 and molecular weight 1364.50 g/mol. IUPAC: N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide.
Chemical Property Profile of difucosyllacto-N-hexaose
Property Insights of difucosyllacto-N-hexaose
The XLogP value of -16.1092 indicates that difucosyllacto-N-hexaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 641.71 Ų indicates high polarity, suggesting difucosyllacto-N-hexaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, difucosyllacto-N-hexaose has 24 hydrogen bond donor(s) and 39 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of difucosyllacto-N-hexaose?
The CAS number of difucosyllacto-N-hexaose is 210427-13-7.
What is the molecular formula of difucosyllacto-N-hexaose?
The molecular formula of difucosyllacto-N-hexaose is C52H88N2O39.
What is the molecular weight of difucosyllacto-N-hexaose?
The molecular weight of difucosyllacto-N-hexaose is 1364.50 g/mol.
Where can I buy difucosyllacto-N-hexaose?
You can request a quote for difucosyllacto-N-hexaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for difucosyllacto-N-hexaose?
Yes, KEHONG BIO provides custom synthesis services for difucosyllacto-N-hexaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.