Difucosyllacto-N-hexaose (a)
TL;DR: Difucosyllacto-N-hexaose (a) (CAS 64396-27-6) 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-[2-[2-[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide
Also Known As: Difucosyllacto-N-hexaose (a), DFLNH (a), DFLNH(a), DFLN(a), DFLNH[A]
| Molecular Formula | C52H88N2O39 |
|---|---|
| Molecular Weight | 1364.50 g/mol |
| LogP | -16.2666 |
| Topological Polar Surface Area | 649.55 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 39 |
| Rotatable Bonds | 26 |
| Exact Mass | 1364.4965 |
| Heavy Atoms | 93 |
| Complexity | 2329.7585 |
Chemical Identifiers
| CAS Number | 64396-27-6 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)CO)OC4C(C(OC(C4O)OC5C(OC(C(C5OC6C(C(C(C(O6)C)O)O)O)NC(=O)C)OC7C(C(OC(C7O)OC(C(CO)O)C(C(C=O)O)O)CO)O)CO)CO)O)NC(=O)C)O)O)O |
Product Overview
Difucosyllacto-N-hexaose (a) (CAS 64396-27-6), with molecular formula C52H88N2O39 and molecular weight 1364.50 g/mol. IUPAC: N-[2-[2-[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide.
Chemical Property Profile of Difucosyllacto-N-hexaose (a)
Property Insights of Difucosyllacto-N-hexaose (a)
The XLogP value of -16.2666 indicates that Difucosyllacto-N-hexaose (a) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 649.55 Ų indicates high polarity, suggesting Difucosyllacto-N-hexaose (a) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Difucosyllacto-N-hexaose (a) 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 (a)?
The CAS number of Difucosyllacto-N-hexaose (a) is 64396-27-6.
What is the molecular formula of Difucosyllacto-N-hexaose (a)?
The molecular formula of Difucosyllacto-N-hexaose (a) is C52H88N2O39.
What is the molecular weight of Difucosyllacto-N-hexaose (a)?
The molecular weight of Difucosyllacto-N-hexaose (a) is 1364.50 g/mol.
Where can I buy Difucosyllacto-N-hexaose (a)?
You can request a quote for Difucosyllacto-N-hexaose (a) 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 (a)?
Yes, KEHONG BIO provides custom synthesis services for Difucosyllacto-N-hexaose (a) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.