RefChem:84547
TL;DR: RefChem:84547 (CAS 1699-38-3) is a chemical compound with molecular formula C16H28N2O14S and molecular weight 504.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
Also Known As: SO4-4-Galnac-1-4-glcnac, SO4-4-Galnacbeta1,4GlcNAcbeta, 2-(Acetylamino)-4-O-(2-(acetylamino)-2-deoxy-4-O-sulfogalactopyranosyl)-2-deoxyglucose, [(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate, 2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-4-o-sulfo-
| Molecular Formula | C16H28N2O14S |
|---|---|
| Molecular Weight | 504.13 g/mol |
| LogP | -6.0 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 504.12613 |
| Heavy Atoms | 33 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 1699-38-3 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)OS(=O)(=O)O)O |
| InChIKey | VUIPMKPVLKMGIH-HGSIGRAESA-N |
Product Overview
RefChem:84547 (CAS 1699-38-3), with molecular formula C16H28N2O14S and molecular weight 504.13 g/mol. IUPAC: [(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate.
Chemical Property Profile of RefChem:84547
Property Insights of RefChem:84547
The XLogP value of -6.0 indicates that RefChem:84547 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 267.0 Ų indicates high polarity, suggesting RefChem:84547 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:84547 has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:84547?
The CAS number of RefChem:84547 is 1699-38-3.
What is the molecular formula of RefChem:84547?
The molecular formula of RefChem:84547 is C16H28N2O14S.
What is the molecular weight of RefChem:84547?
The molecular weight of RefChem:84547 is 504.13 g/mol.
Where can I buy RefChem:84547?
You can request a quote for RefChem:84547 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:84547?
Yes, KEHONG BIO provides custom synthesis services for RefChem:84547 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.