Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside
TL;DR: Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside (CAS 117014-54-7) is a chemical compound with molecular formula C15H25NO12 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Menacglcua-glu, Methyl ADGAG, J2.439.400J, Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside, (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C15H25NO12 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.13766 |
| Heavy Atoms | 28 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 117014-54-7 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | QBCYMOTVOLDSJF-TUAGYZNYSA-N |
Product Overview
Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside (CAS 117014-54-7), with molecular formula C15H25NO12 and molecular weight 411.14 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside
Property Insights of Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside
The XLogP value of -3.4 indicates that Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside has 7 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 Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside?
The CAS number of Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside is 117014-54-7.
What is the molecular formula of Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside?
The molecular formula of Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside is C15H25NO12.
What is the molecular weight of Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside?
The molecular weight of Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside is 411.14 g/mol.
Where can I buy Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside?
You can request a quote for Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-acetamido-2-deoxy-3-O-glucopyranosyluronoylglucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.