Monofuco-lacto-N-hexaose
TL;DR: Monofuco-lacto-N-hexaose (CAS 3565-02-4) is a chemical compound with molecular formula C46H78N2O35 and molecular weight 1218.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1R,2R,3R,4R,6R)-6-[(2R,3R,4R,5R,6R)-4-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]peroxy-4-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]acetamide
Also Known As: monofucosyllacto-n-hexaose, Monofuco-lacto-N-hexaose, MFLNH III, MLFNH III, monofucosyllacto-N-hexaose III
| Molecular Formula | C46H78N2O35 |
|---|---|
| Molecular Weight | 1218.44 g/mol |
| LogP | -12.9 |
| Topological Polar Surface Area | 591.0 Ų |
| Hydrogen Bond Donors | 22 |
| Hydrogen Bond Acceptors | 35 |
| Rotatable Bonds | 24 |
| Exact Mass | 1218.4385 |
| Heavy Atoms | 83 |
| Complexity | 2030.0 |
Chemical Identifiers
| CAS Number | 3565-02-4 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)CO)OO[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O[C@H]5[C@@H](C([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)NC(=O)C)O)NC(=O)C)O)O)O |
| InChIKey | GKEWHGPIQCSUCC-JJGOEJEFSA-N |
Product Overview
Monofuco-lacto-N-hexaose (CAS 3565-02-4), with molecular formula C46H78N2O35 and molecular weight 1218.44 g/mol. IUPAC: N-[(1R,2R,3R,4R,6R)-6-[(2R,3R,4R,5R,6R)-4-[(2S,3R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]peroxy-4-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxycyclohexyl]acetamide.
Chemical Property Profile of Monofuco-lacto-N-hexaose
Property Insights of Monofuco-lacto-N-hexaose
The XLogP value of -12.9 indicates that Monofuco-lacto-N-hexaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 591.0 Ų indicates high polarity, suggesting Monofuco-lacto-N-hexaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Monofuco-lacto-N-hexaose has 22 hydrogen bond donor(s) and 35 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Monofuco-lacto-N-hexaose?
The CAS number of Monofuco-lacto-N-hexaose is 3565-02-4.
What is the molecular formula of Monofuco-lacto-N-hexaose?
The molecular formula of Monofuco-lacto-N-hexaose is C46H78N2O35.
What is the molecular weight of Monofuco-lacto-N-hexaose?
The molecular weight of Monofuco-lacto-N-hexaose is 1218.44 g/mol.
Where can I buy Monofuco-lacto-N-hexaose?
You can request a quote for Monofuco-lacto-N-hexaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monofuco-lacto-N-hexaose?
Yes, KEHONG BIO provides custom synthesis services for Monofuco-lacto-N-hexaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.