S-Nitroso-beta-D-thioglucose
TL;DR: S-Nitroso-beta-D-thioglucose (CAS 95660-17-6) is a chemical compound with molecular formula C6H11NO6S and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R,6S)-6-aminooxy-2-(hydroxymethyl)-6-sulfanyl-2,5-dihydropyran-3,4,5-triol
Also Known As: S-Nitrosothioglucose, S-Nitroso-beta-D-thioglucose, KST-1A9130, beta-D-Glucopyranose, 1-thio-, 1-nitrite, (2R,5R,6S)-6-aminooxy-2-(hydroxymethyl)-6-sulfanyl-2,5-dihydropyran-3,4,5-triol
| Molecular Formula | C6H11NO6S |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.0307 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 95660-17-6 |
|---|---|
| SMILES | C([C@@H]1C(=C([C@H]([C@](O1)(ON)S)O)O)O)O |
| InChIKey | KNSMFAYATDJFEI-LNFGEOLWSA-N |
Product Overview
S-Nitroso-beta-D-thioglucose (CAS 95660-17-6), with molecular formula C6H11NO6S and molecular weight 225.03 g/mol. IUPAC: (2R,5R,6S)-6-aminooxy-2-(hydroxymethyl)-6-sulfanyl-2,5-dihydropyran-3,4,5-triol.
Chemical Property Profile of S-Nitroso-beta-D-thioglucose
Property Insights of S-Nitroso-beta-D-thioglucose
The XLogP value of -1.7 indicates that S-Nitroso-beta-D-thioglucose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Nitroso-beta-D-thioglucose. Following Lipinski's Rule of Five, S-Nitroso-beta-D-thioglucose has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Nitroso-beta-D-thioglucose?
The CAS number of S-Nitroso-beta-D-thioglucose is 95660-17-6.
What is the molecular formula of S-Nitroso-beta-D-thioglucose?
The molecular formula of S-Nitroso-beta-D-thioglucose is C6H11NO6S.
What is the molecular weight of S-Nitroso-beta-D-thioglucose?
The molecular weight of S-Nitroso-beta-D-thioglucose is 225.03 g/mol.
Where can I buy S-Nitroso-beta-D-thioglucose?
You can request a quote for S-Nitroso-beta-D-thioglucose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Nitroso-beta-D-thioglucose?
Yes, KEHONG BIO provides custom synthesis services for S-Nitroso-beta-D-thioglucose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.