mannosyl(5)-N-acetyl(2)-glucose
TL;DR: mannosyl(5)-N-acetyl(2)-glucose (CAS 70573-04-5) is a chemical compound with molecular formula C46H78N2O36 and molecular weight 1234.43 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,3R,4S,5R)-2-acetamido-5-[(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-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,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: Man5GlcNAc2, Mannosyl(5)-N-acetyl(2)-glucose, N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5R)-2-acetamido-5-[(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-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,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-(1-6)-O-(O-alpha-L-mannopyranosyl-(1-2)-O-alpha-L-mannopyranosyl-(1-2)-alpha-L-mannopyranosyl-(1-3))-O-beta-D-mannopyranosyl-(1-3(or 1-4))-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-, 2-Acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-[beta-D-mannopyranosyl-(1->4)]-[alpha-D-mannopyranosyl-(1->2)-[alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->5)]-2-acetamido-2-deoxy-D-glucose
| Molecular Formula | C46H78N2O36 |
|---|---|
| Molecular Weight | 1234.43 g/mol |
| LogP | -16.146 |
| Topological Polar Surface Area | 610.86 Ų |
| Hydrogen Bond Donors | 23 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 25 |
| Exact Mass | 1234.4335 |
| Heavy Atoms | 84 |
| Complexity | 2038.7063 |
Chemical Identifiers
| CAS Number | 70573-04-5 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO[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[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)O[C@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CO)O)O |
Product Overview
mannosyl(5)-N-acetyl(2)-glucose (CAS 70573-04-5), with molecular formula C46H78N2O36 and molecular weight 1234.43 g/mol. IUPAC: N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4S,5R)-2-acetamido-5-[(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-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,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(5)-N-acetyl(2)-glucose
Property Insights of mannosyl(5)-N-acetyl(2)-glucose
The XLogP value of -16.146 indicates that mannosyl(5)-N-acetyl(2)-glucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 610.86 Ų indicates high polarity, suggesting mannosyl(5)-N-acetyl(2)-glucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, mannosyl(5)-N-acetyl(2)-glucose has 23 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of mannosyl(5)-N-acetyl(2)-glucose?
The CAS number of mannosyl(5)-N-acetyl(2)-glucose is 70573-04-5.
What is the molecular formula of mannosyl(5)-N-acetyl(2)-glucose?
The molecular formula of mannosyl(5)-N-acetyl(2)-glucose is C46H78N2O36.
What is the molecular weight of mannosyl(5)-N-acetyl(2)-glucose?
The molecular weight of mannosyl(5)-N-acetyl(2)-glucose is 1234.43 g/mol.
Where can I buy mannosyl(5)-N-acetyl(2)-glucose?
You can request a quote for mannosyl(5)-N-acetyl(2)-glucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for mannosyl(5)-N-acetyl(2)-glucose?
Yes, KEHONG BIO provides custom synthesis services for mannosyl(5)-N-acetyl(2)-glucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.