mannosyl(6)-N-acetylglucosamine(2)
TL;DR: mannosyl(6)-N-acetylglucosamine(2) (CAS 78392-29-7) is a chemical compound with molecular formula C52H88N2O41 and molecular weight 1396.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4-[(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-1-[(2S,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-6-oxo-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: Man(6)glcnac(2), Mannosyl(6)-N-acetylglucosamine(2), N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4-[(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-1-[(2S,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-6-oxo-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, D-Glucose, O-alpha-D-mannopyranosyl-(1-3)-O-(O-alpha-D-mannopyranosyl-(1-3)-O-(alpha-D-mannopyranosyl-(1-6))-alpha-D-mannopyranosyl-(1-6))-O-beta-D-mannopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-, mono-O-alpha-D-mannopyranoside, 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[beta-D-mannopyranosyl-(1->5)]-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-[alpha-D-mannopyranosyl-(1->2)-[alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-glucose
| Molecular Formula | C52H88N2O41 |
|---|---|
| Molecular Weight | 1396.49 g/mol |
| LogP | -18.3218 |
| Topological Polar Surface Area | 690.01 Ų |
| Hydrogen Bond Donors | 26 |
| Hydrogen Bond Acceptors | 41 |
| Rotatable Bonds | 28 |
| Exact Mass | 1396.4862 |
| Heavy Atoms | 95 |
| Complexity | 2361.0994 |
Chemical Identifiers
| CAS Number | 78392-29-7 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]([C@@H](CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)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)O)O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@H]([C@H](C=O)NC(=O)C)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)CO)O)O |
Product Overview
mannosyl(6)-N-acetylglucosamine(2) (CAS 78392-29-7), with molecular formula C52H88N2O41 and molecular weight 1396.49 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-4-[(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-1-[(2S,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-6-oxo-2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of mannosyl(6)-N-acetylglucosamine(2)
Property Insights of mannosyl(6)-N-acetylglucosamine(2)
The XLogP value of -18.3218 indicates that mannosyl(6)-N-acetylglucosamine(2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 690.01 Ų indicates high polarity, suggesting mannosyl(6)-N-acetylglucosamine(2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, mannosyl(6)-N-acetylglucosamine(2) has 26 hydrogen bond donor(s) and 41 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of mannosyl(6)-N-acetylglucosamine(2)?
The CAS number of mannosyl(6)-N-acetylglucosamine(2) is 78392-29-7.
What is the molecular formula of mannosyl(6)-N-acetylglucosamine(2)?
The molecular formula of mannosyl(6)-N-acetylglucosamine(2) is C52H88N2O41.
What is the molecular weight of mannosyl(6)-N-acetylglucosamine(2)?
The molecular weight of mannosyl(6)-N-acetylglucosamine(2) is 1396.49 g/mol.
Where can I buy mannosyl(6)-N-acetylglucosamine(2)?
You can request a quote for mannosyl(6)-N-acetylglucosamine(2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for mannosyl(6)-N-acetylglucosamine(2)?
Yes, KEHONG BIO provides custom synthesis services for mannosyl(6)-N-acetylglucosamine(2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.