Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate
TL;DR: Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate (CAS 73960-72-2) is a chemical compound with molecular formula C20H27NO12 and molecular weight 473.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetamido-4-acetyloxy-2-(1,2,3-triacetyloxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate
Also Known As: Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate, (1S,2R)-1-((2R,3R,4S)-3-Acetamido-4-acetoxy-6-(methoxycarbonyl)-3,4-dihydro-2H-pyran-2-yl)propane-1,2,3-triyl triacetate, 5-(Acetylamino)-3,5-dideoxy-D-glycero-, A-D-galacto-2-nonulopyranosonic AcidMethyl Ester; methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-2,3,5-trideoxy-D-glycero-D-galacto-non-2-enopyranosonate; methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-3,5-dideoxy-2,6-anhydro-D-glycero-D-galacto-non-2-enonate; methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enoate; P906; methyl 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulopyranosonate; N-Acetylneuraminic acid methyl ester; methyl 5-acetdmino-4,7,8,9-tetra-O-acetyl-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enolate; (2S,4S,5R,6R)-methyl 5-acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylate; methyl 5-acetamido-4,7,8,9-tetra-O-acetyl-2,6-anhydro-3,5,9-trideoxy-D-glycero-D-galacto-non-2-enoate;, methyl (2R,3R,4S)-4-(acetyloxy)-3-acetamido-2-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]-3,4-dihydro-2H-pyran-6-carboxylate
| Molecular Formula | C20H27NO12 |
|---|---|
| Molecular Weight | 473.15 g/mol |
| LogP | -0.695 |
| Topological Polar Surface Area | 169.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.15332 |
| Heavy Atoms | 33 |
| Complexity | 819.86285 |
Chemical Identifiers
| CAS Number | 73960-72-2 |
|---|---|
| SMILES | CC(=O)NC1C(C=C(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C |
Product Overview
Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate (CAS 73960-72-2), with molecular formula C20H27NO12 and molecular weight 473.15 g/mol. IUPAC: methyl 3-acetamido-4-acetyloxy-2-(1,2,3-triacetyloxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate.
Chemical Property Profile of Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate
Property Insights of Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate
The XLogP value of -0.695 indicates that Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.83 Ų indicates high polarity, suggesting Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate 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 Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate?
The CAS number of Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate is 73960-72-2.
What is the molecular formula of Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate?
The molecular formula of Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate is C20H27NO12.
What is the molecular weight of Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate?
The molecular weight of Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate is 473.15 g/mol.
Where can I buy Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate?
You can request a quote for Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5,7,8,9-Tetra-O-acetyl-4-acylamino-2,6-anhydro-3,4-dideoxy-D-glycero-D-galacto-2-enonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.