4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose
TL;DR: 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose (CAS 467446-91-9) is a chemical compound with molecular formula C14H18N2O11S and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl hydrogen sulfate
Also Known As: Npsadg, Pnp-glcnac-6-SO4, 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose, beta-D-(6-Sulfo)-GlcNAc-OC6H4NO2-p, J1.578.771F
| Molecular Formula | C14H18N2O11S |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.06314 |
| Heavy Atoms | 28 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 467446-91-9 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=C(C=C2)[N+](=O)[O-])COS(=O)(=O)O)O)O |
| InChIKey | UGJNMWVITHXKNR-DHGKCCLASA-N |
Product Overview
4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose (CAS 467446-91-9), with molecular formula C14H18N2O11S and molecular weight 422.06 g/mol. IUPAC: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-dihydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl hydrogen sulfate.
Chemical Property Profile of 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose
Property Insights of 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose
The XLogP value of -1.3 indicates that 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.0 Ų indicates high polarity, suggesting 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose?
The CAS number of 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose is 467446-91-9.
What is the molecular formula of 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose?
The molecular formula of 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose is C14H18N2O11S.
What is the molecular weight of 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose?
The molecular weight of 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose is 422.06 g/mol.
Where can I buy 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose?
You can request a quote for 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl-6-sulfo-2-acetamido-2-deoxyglucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.