beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate)
TL;DR: beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) (CAS 57991-35-2) is a chemical compound with molecular formula C19H18O9 and molecular weight 390.10 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-(3-phenoxybenzoyl)oxyoxane-2-carboxylic acid
Also Known As: 3-Phenoxybenzoic acid glucuronide, beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate), 1-O-(3-Phenoxybenzoyl)-beta-D-glucopyranuronic acid, (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-phenoxybenzoyl)oxyoxane-2-carboxylic acid, RefChem:329027
| Molecular Formula | C19H18O9 |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 0.5279 |
| Topological Polar Surface Area | 142.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0951 |
| Heavy Atoms | 28 |
| Complexity | 838.30774 |
Chemical Identifiers
| CAS Number | 57991-35-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
Product Overview
beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) (CAS 57991-35-2), with molecular formula C19H18O9 and molecular weight 390.10 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-phenoxybenzoyl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate)
Property Insights of beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate)
The XLogP value of 0.5279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate). The TPSA of 142.75 Ų indicates high polarity, suggesting beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) has 4 hydrogen bond donor(s) and 8 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-Glucopyranuronic acid, 1-(3-phenoxybenzoate)?
The CAS number of beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) is 57991-35-2.
What is the molecular formula of beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate)?
The molecular formula of beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) is C19H18O9.
What is the molecular weight of beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate)?
The molecular weight of beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) is 390.10 g/mol.
Where can I buy beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate)?
You can request a quote for beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate)?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranuronic acid, 1-(3-phenoxybenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.