beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl
TL;DR: beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl (CAS 120137-74-8) is a chemical compound with molecular formula C14H16N2O10 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-(2-acetamido-4-nitrophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 2-(acetylamino)-4-nitrophenyl, A-d-glucopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl, 2-[(1-Hydroxyethylidene)amino]-4-nitrophenyl hexopyranosiduronic acid, (2S,3S,4S,5R,6S)-6-(2-acetamido-4-nitrophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C14H16N2O10 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.0805 |
| Heavy Atoms | 26 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 120137-74-8 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | XWRCITHRPDUOOU-BYNIDDHOSA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl (CAS 120137-74-8), with molecular formula C14H16N2O10 and molecular weight 372.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(2-acetamido-4-nitrophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl
Property Insights of beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl
The XLogP value of -1.0 indicates that beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl is 120137-74-8.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl is C14H16N2O10.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl is 372.08 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 2-(acetylamino)-4-nitrophenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.