Trifucosyllacto-N-hexaose
TL;DR: Trifucosyllacto-N-hexaose (CAS 116883-09-1) is a chemical compound with molecular formula C58H98N2O43 and molecular weight 1510.5543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[[4-[3-acetamido-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-2-yl]methoxy]-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: Trifucosyllacto-N-hexaose, Trifucosyllacto-N-hexaose a, TFLNH, TFLNH(a), Trifucosyllacto-n-hexaose-a
Technical Specifications
| Molecular Formula | C58H98N2O43 |
| Molecular Weight | 1510.5543 g/mol |
| XLogP | -16.3 |
| Topological Polar Surface Area (TPSA) | 708.0 Ų |
| Hydrogen Bond Donors | 26 |
| Hydrogen Bond Acceptors | 43 |
| Rotatable Bonds | 28 |
| Exact Mass | 1510.5543 Da |
| Heavy Atoms | 103 |
| Complexity | 2640.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O)NC(=O)C)OC5C(C(OC(C5O)OC(C(CO)O)C(C(C=O)O)O)COC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)NC(=O)C)O)CO)O)O)O |
| InChIKey | YOTBLRKYLWEPOA-UHFFFAOYSA-N |
Chemical Property Profile of Trifucosyllacto-N-hexaose
Property Insights of Trifucosyllacto-N-hexaose
The XLogP value of -16.3 indicates that Trifucosyllacto-N-hexaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 708.0 Ų indicates high polarity, suggesting Trifucosyllacto-N-hexaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trifucosyllacto-N-hexaose has 26 hydrogen bond donor(s) and 43 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Trifucosyllacto-N-hexaose?
The CAS number of Trifucosyllacto-N-hexaose is 116883-09-1.
What is the molecular formula of Trifucosyllacto-N-hexaose?
The molecular formula of Trifucosyllacto-N-hexaose is C58H98N2O43.
What is the molecular weight of Trifucosyllacto-N-hexaose?
The molecular weight of Trifucosyllacto-N-hexaose is 1510.5543 g/mol.
Where can I buy Trifucosyllacto-N-hexaose?
You can request a quote for Trifucosyllacto-N-hexaose directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trifucosyllacto-N-hexaose?
Yes, CoreyChem provides custom synthesis services for Trifucosyllacto-N-hexaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.