Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside
TL;DR: Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside (CAS 13089-21-9) is a chemical compound with molecular formula C20H25NO9 and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-phenoxyoxan-2-yl]methyl acetate
Also Known As: ChemDiv1_023762, PHENYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE, BAS 01164537, K-4071, [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-phenoxyoxan-2-yl]methyl acetate
| Molecular Formula | C20H25NO9 |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 0.7215 |
| Topological Polar Surface Area | 126.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.15292 |
| Heavy Atoms | 30 |
| Complexity | 766.8005 |
Chemical Identifiers
| CAS Number | 13089-21-9 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside (CAS 13089-21-9), with molecular formula C20H25NO9 and molecular weight 423.15 g/mol. IUPAC: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-phenoxyoxan-2-yl]methyl acetate.
Chemical Property Profile of Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside
Property Insights of Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside
The XLogP value of 0.7215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside. The TPSA of 126.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside. Following Lipinski's Rule of Five, Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside has 1 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 Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside?
The CAS number of Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside is 13089-21-9.
What is the molecular formula of Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside?
The molecular formula of Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside is C20H25NO9.
What is the molecular weight of Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside?
The molecular weight of Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside is 423.15 g/mol.
Where can I buy Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside?
You can request a quote for Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.