Lacto-N-hexaose
TL;DR: Lacto-N-hexaose (CAS 64003-51-6) is a chemical compound with molecular formula C40H68N2O31 and molecular weight 1072.38 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-5-hydroxy-6-(hydroxymethyl)-4-[(2S,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]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Also Known As: Lacto-N-hexaose, LNThex, J1.578.501B, N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,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]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide, Galbeta1-3GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glc
| Molecular Formula | C40H68N2O31 |
|---|---|
| Molecular Weight | 1072.38 g/mol |
| LogP | -12.5 |
| Topological Polar Surface Area | 532.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 22 |
| Exact Mass | 1072.3806 |
| Heavy Atoms | 73 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 64003-51-6 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O |
| InChIKey | ZDZMLVPSYYRJNI-WUQAQFCDSA-N |
Product Overview
Lacto-N-hexaose (CAS 64003-51-6), with molecular formula C40H68N2O31 and molecular weight 1072.38 g/mol. IUPAC: N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,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]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.
Chemical Property Profile of Lacto-N-hexaose
Property Insights of Lacto-N-hexaose
The XLogP value of -12.5 indicates that Lacto-N-hexaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 532.0 Ų indicates high polarity, suggesting Lacto-N-hexaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lacto-N-hexaose has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lacto-N-hexaose?
The CAS number of Lacto-N-hexaose is 64003-51-6.
What is the molecular formula of Lacto-N-hexaose?
The molecular formula of Lacto-N-hexaose is C40H68N2O31.
What is the molecular weight of Lacto-N-hexaose?
The molecular weight of Lacto-N-hexaose is 1072.38 g/mol.
Where can I buy Lacto-N-hexaose?
You can request a quote for 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 Lacto-N-hexaose?
Yes, KEHONG BIO provides custom synthesis services for Lacto-N-hexaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.