Glcnac branched hexasaccharide
TL;DR: Glcnac branched hexasaccharide (CAS 99098-32-5) is a chemical compound with molecular formula C42H71N3O31 and molecular weight 1113.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R,3R,4R,6R)-2-[[(3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxyoxan-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: Glcnac branched hexasaccharide, N-[(2R,3R,4R,6R)-2-[[(3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxyoxan-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, Gal beta 1-4-glcnac-beta 1-3(gal-beta 1-4-glcnac-beta 1-6)gal-beta 1-4-glcnac, Galactosyl-beta 1-4-N-acetylglucosaminyl-beta 1-3-(galactosyl-beta 1-4-N-acetylglucosaminyl-beta 1-6)galactosyl-beta 1-4-N-acetylglucosaminylpyranoside, A-d-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-
| Molecular Formula | C42H71N3O31 |
|---|---|
| Molecular Weight | 1113.41 g/mol |
| LogP | -13.1 |
| Topological Polar Surface Area | 541.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 23 |
| Exact Mass | 1113.4071 |
| Heavy Atoms | 76 |
| Complexity | 1850.0 |
Chemical Identifiers
| CAS Number | 99098-32-5 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H]([C@@H](OC([C@@H]2O)CO[C@H]3[C@@H]([C@H](C([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)O)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O |
| InChIKey | NUUHFTOLHKDBAV-CKDNLHRZSA-N |
Product Overview
Glcnac branched hexasaccharide (CAS 99098-32-5), with molecular formula C42H71N3O31 and molecular weight 1113.41 g/mol. IUPAC: N-[(2R,3R,4R,6R)-2-[[(3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxyoxan-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 Glcnac branched hexasaccharide
Property Insights of Glcnac branched hexasaccharide
The XLogP value of -13.1 indicates that Glcnac branched hexasaccharide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 541.0 Ų indicates high polarity, suggesting Glcnac branched hexasaccharide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glcnac branched hexasaccharide 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 Glcnac branched hexasaccharide?
The CAS number of Glcnac branched hexasaccharide is 99098-32-5.
What is the molecular formula of Glcnac branched hexasaccharide?
The molecular formula of Glcnac branched hexasaccharide is C42H71N3O31.
What is the molecular weight of Glcnac branched hexasaccharide?
The molecular weight of Glcnac branched hexasaccharide is 1113.41 g/mol.
Where can I buy Glcnac branched hexasaccharide?
You can request a quote for Glcnac branched hexasaccharide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glcnac branched hexasaccharide?
Yes, KEHONG BIO provides custom synthesis services for Glcnac branched hexasaccharide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.