beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl
TL;DR: beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl (CAS 147029-75-2) is a chemical compound with molecular formula C19H17NO10 and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(4-nitrobenzoyl)phenoxy]oxane-2-carboxylic acid
Also Known As: beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl, 4-(4-Nitrobenzoyl)phenyl beta-D-glucopyranosiduronic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(4-nitrobenzoyl)phenoxy]oxane-2-carboxylic acid, RefChem:329019
| Molecular Formula | C19H17NO10 |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 0.0968 |
| Topological Polar Surface Area | 176.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.08524 |
| Heavy Atoms | 30 |
| Complexity | 942.7924 |
Chemical Identifiers
| CAS Number | 147029-75-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)[N+](=O)[O-] |
Product Overview
beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl (CAS 147029-75-2), with molecular formula C19H17NO10 and molecular weight 419.09 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(4-nitrobenzoyl)phenoxy]oxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl
Property Insights of beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl
The XLogP value of 0.0968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl. The TPSA of 176.66 Ų indicates high polarity, suggesting beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl has 4 hydrogen bond donor(s) and 9 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, 4-(4-nitrobenzoyl)phenyl?
The CAS number of beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl is 147029-75-2.
What is the molecular formula of beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl?
The molecular formula of beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl is C19H17NO10.
What is the molecular weight of beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl?
The molecular weight of beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl is 419.09 g/mol.
Where can I buy beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl?
You can request a quote for beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl 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, 4-(4-nitrobenzoyl)phenyl?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranosiduronic acid, 4-(4-nitrobenzoyl)phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.