Mannosyl(9)-N-acetylglucosamine
TL;DR: Mannosyl(9)-N-acetylglucosamine (CAS 70158-33-7) is a chemical compound with molecular formula C62H105NO51 and molecular weight 1679.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R,3R,4S,5R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-1-oxo-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
Also Known As: Man9GlcNAc, Man(9)glcnac, Mannosyl(9)-N-acetylglucosamine, N-Acetylglucosamine-mannose(9), N-[(2R,3R,4S,5R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-1-oxo-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide
| Molecular Formula | C62H105NO51 |
|---|---|
| Molecular Weight | 1679.57 g/mol |
| LogP | -22.8172 |
| Topological Polar Surface Area | 839.44 Ų |
| Hydrogen Bond Donors | 32 |
| Hydrogen Bond Acceptors | 51 |
| Rotatable Bonds | 33 |
| Exact Mass | 1679.5653 |
| Heavy Atoms | 114 |
| Complexity | 2889.1067 |
Chemical Identifiers
| CAS Number | 70158-33-7 |
|---|---|
| SMILES | CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O |
Product Overview
Mannosyl(9)-N-acetylglucosamine (CAS 70158-33-7), with molecular formula C62H105NO51 and molecular weight 1679.57 g/mol. IUPAC: N-[(2R,3R,4S,5R)-6-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-1-oxo-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide.
Chemical Property Profile of Mannosyl(9)-N-acetylglucosamine
Property Insights of Mannosyl(9)-N-acetylglucosamine
The XLogP value of -22.8172 indicates that Mannosyl(9)-N-acetylglucosamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 839.44 Ų indicates high polarity, suggesting Mannosyl(9)-N-acetylglucosamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mannosyl(9)-N-acetylglucosamine has 32 hydrogen bond donor(s) and 51 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mannosyl(9)-N-acetylglucosamine?
The CAS number of Mannosyl(9)-N-acetylglucosamine is 70158-33-7.
What is the molecular formula of Mannosyl(9)-N-acetylglucosamine?
The molecular formula of Mannosyl(9)-N-acetylglucosamine is C62H105NO51.
What is the molecular weight of Mannosyl(9)-N-acetylglucosamine?
The molecular weight of Mannosyl(9)-N-acetylglucosamine is 1679.57 g/mol.
Where can I buy Mannosyl(9)-N-acetylglucosamine?
You can request a quote for Mannosyl(9)-N-acetylglucosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mannosyl(9)-N-acetylglucosamine?
Yes, KEHONG BIO provides custom synthesis services for Mannosyl(9)-N-acetylglucosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.