beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl
TL;DR: beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl (CAS 14178-29-1) is a chemical compound with molecular formula C12H14N2O9 and molecular weight 330.07 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-amino-4-nitrophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 2-amino-4-nitrophenyl, A-d-glucopyranosiduronic acid, 2-Amino-4-nitrophenyl hexopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl, 2-Amino-4-nitrophenyl beta-D-glucopyranosiduronic acid
| Molecular Formula | C12H14N2O9 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 188.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.06992 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 14178-29-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | KKTWYPDHVJCBJV-GOVZDWNOSA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl (CAS 14178-29-1), with molecular formula C12H14N2O9 and molecular weight 330.07 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(2-amino-4-nitrophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl
Property Insights of beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl
The XLogP value of -0.8 indicates that beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 2-amino-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-amino-4-nitrophenyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl is 14178-29-1.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl is C12H14N2O9.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl is 330.07 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 2-amino-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-amino-4-nitrophenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 2-amino-4-nitrophenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.