Difucosyllacto-N-hexaose I
TL;DR: Difucosyllacto-N-hexaose I (CAS 482638-98-2) 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)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide
Also Known As: DFpLNH, Lea-Lex-Lac, Difucosyllacto-N-hexaose I, V4FUC,III3FUC-LCOSE6, Difucosyl-para-lacto-N-hexaose
| 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 | 482638-98-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)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)CO)O)O)O |
Product Overview
Difucosyllacto-N-hexaose I (CAS 482638-98-2), 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)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide.
Chemical Property Profile of Difucosyllacto-N-hexaose I
Property Insights of Difucosyllacto-N-hexaose I
The XLogP value of -16.2666 indicates that Difucosyllacto-N-hexaose I 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 I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Difucosyllacto-N-hexaose I 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 I?
The CAS number of Difucosyllacto-N-hexaose I is 482638-98-2.
What is the molecular formula of Difucosyllacto-N-hexaose I?
The molecular formula of Difucosyllacto-N-hexaose I is C52H88N2O39.
What is the molecular weight of Difucosyllacto-N-hexaose I?
The molecular weight of Difucosyllacto-N-hexaose I is 1364.50 g/mol.
Where can I buy Difucosyllacto-N-hexaose I?
You can request a quote for Difucosyllacto-N-hexaose I 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 I?
Yes, KEHONG BIO provides custom synthesis services for Difucosyllacto-N-hexaose I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.