2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid
TL;DR: 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid (CAS 90720-07-3) is a chemical compound with molecular formula C25H24O12 and molecular weight 516.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-3,4,5-triacetyloxy-6-(3-phenoxybenzoyl)oxyoxane-2-carboxylic acid
Also Known As: 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid, D-Glucopyranuronic acid, 2,3,4-triacetate 1-(3-phenoxybenzoate), 2,3,4-TRI-O-ACETYL-1-O-(3-PHENOXYBENZOYL)-D-GLUCOPYRANURONIC ACID, (2S,3R,4S,5R)-3,4,5-triacetyloxy-6-(3-phenoxybenzoyl)oxy-oxane-2-carboxylic Acid, (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-(3-phenoxybenzoyl)oxyoxane-2-carboxylic acid
| Molecular Formula | C25H24O12 |
|---|---|
| Molecular Weight | 516.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 516.1268 |
| Heavy Atoms | 37 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 90720-07-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H]([C@H](OC([C@@H]1OC(=O)C)OC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)O)OC(=O)C |
| InChIKey | XXOCQKNAWYCGLY-LBNYSLGASA-N |
Product Overview
2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid (CAS 90720-07-3), with molecular formula C25H24O12 and molecular weight 516.13 g/mol. IUPAC: (2S,3S,4S,5R)-3,4,5-triacetyloxy-6-(3-phenoxybenzoyl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid
Property Insights of 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid. The TPSA of 161.0 Ų indicates high polarity, suggesting 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid?
The CAS number of 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid is 90720-07-3.
What is the molecular formula of 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid?
The molecular formula of 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid is C25H24O12.
What is the molecular weight of 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid?
The molecular weight of 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid is 516.13 g/mol.
Where can I buy 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid?
You can request a quote for 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Tri-O-acetyl-1-O-(3-phenoxybenzoyl)hexopyranuronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.