1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite
TL;DR: 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite (CAS 177958-15-5) is a chemical compound with molecular formula C14H19NO11S and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-nitrosooxy-6-sulfanyloxan-2-yl]methyl acetate
Also Known As: SNAG, 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite, beta-D-Glucopyranose, 1-thio-, 2,3,4,6-tetraacetate 1-nitrite, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-nitrosooxy-6-sulfanyloxan-2-yl]methyl acetate
| Molecular Formula | C14H19NO11S |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 409.06787 |
| Heavy Atoms | 27 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 177958-15-5 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(ON=O)S)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | UKNRLYWSGXUDAO-RGDJUOJXSA-N |
Product Overview
1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite (CAS 177958-15-5), with molecular formula C14H19NO11S and molecular weight 409.07 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-nitrosooxy-6-sulfanyloxan-2-yl]methyl acetate.
Chemical Property Profile of 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite
Property Insights of 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite
The XLogP value of -0.1 indicates that 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite?
The CAS number of 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite is 177958-15-5.
What is the molecular formula of 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite?
The molecular formula of 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite is C14H19NO11S.
What is the molecular weight of 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite?
The molecular weight of 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite is 409.07 g/mol.
Where can I buy 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite?
You can request a quote for 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite?
Yes, KEHONG BIO provides custom synthesis services for 1-thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-nitrite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.