![3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose structure](/static/products/613/61376-15-6.png)
3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose
TL;DR: 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose (CAS 61376-15-6) is a chemical compound with molecular formula C15H19NO9 and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3aR,5R,6R,7S,7aR)-6,7-diacetyloxy-2-cyano-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
Also Known As: J1.433.559E, 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose, 1-O,2-O-[(S)-1-Cyanoethylidene]-3-O,4-O,6-O-triacetyl-alpha-D-glucopyranose, (2S,3aR,5R,6R,7S,7aR)-5-(acetoxymethyl)-2-cyano-2-methyltetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-6,7-diyl diacetate, [(2S,3aR,5R,6R,7S,7aR)-6,7-bis(acetyloxy)-2-cyano-2-methyl-hexahydro-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
| Molecular Formula | C15H19NO9 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | -0.20702 |
| Topological Polar Surface Area | 130.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.106 |
| Heavy Atoms | 25 |
| Complexity | 600.2997 |
Chemical Identifiers
| CAS Number | 61376-15-6 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)O[C@@](O2)(C)C#N)OC(=O)C)OC(=O)C |
Product Overview
3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose (CAS 61376-15-6), with molecular formula C15H19NO9 and molecular weight 357.11 g/mol. IUPAC: [(2S,3aR,5R,6R,7S,7aR)-6,7-diacetyloxy-2-cyano-2-methyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate.
Chemical Property Profile of 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose
Property Insights of 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose
The XLogP value of -0.20702 indicates that 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose. Following Lipinski's Rule of Five, 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose has 0 hydrogen bond donor(s) and 10 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 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose?
The CAS number of 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose is 61376-15-6.
What is the molecular formula of 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose?
The molecular formula of 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose is C15H19NO9.
What is the molecular weight of 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose?
The molecular weight of 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose is 357.11 g/mol.
Where can I buy 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose?
You can request a quote for 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-tri-O-acetyl-1,2-O-[(1S)-1-cyanoethylidene]-alpha-D-glucopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.