beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl
TL;DR: beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl (CAS 83807-32-3) is a chemical compound with molecular formula C13H14N2O11 and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[(2,6-dinitrophenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 2,6-Dinitrobenzyl beta-D-glucuronide, beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl, J1.366.607E, (2,6-Dinitrophenyl)methyl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6R)-6-[(2,6-dinitrophenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C13H14N2O11 |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.05975 |
| Heavy Atoms | 26 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 83807-32-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[N+](=O)[O-] |
| InChIKey | DUKJFYQWMFYNLN-XPORZQOISA-N |
Product Overview
beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl (CAS 83807-32-3), with molecular formula C13H14N2O11 and molecular weight 374.06 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(2,6-dinitrophenyl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl
Property Insights of beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl
The XLogP value of -0.7 indicates that beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl 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 beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl?
The CAS number of beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl is 83807-32-3.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl is C13H14N2O11.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl is 374.06 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl 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, (2,6-dinitrophenyl)methyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, (2,6-dinitrophenyl)methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.