Pyridin-2-yl 1-thiohexopyranosiduronic acid
TL;DR: Pyridin-2-yl 1-thiohexopyranosiduronic acid (CAS 77171-32-5) is a chemical compound with molecular formula C11H13NO6S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Pyridin-2-yl 1-thiohexopyranosiduronic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyridin-2-ylsulfanyloxane-2-carboxylic acid
Also Known As: Pyridin-2-yl 1-thiohexopyranosiduronic acid, pyridin-2-yl 1-thio-, A-d-glucopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, 2-pyridinyl 1-thio-, pyridin-2-yl 1-thio-beta-D-glucopyranosiduronic acid
| Molecular Formula | C11H13NO6S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.04636 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 77171-32-5 |
|---|---|
| SMILES | C1=CC=NC(=C1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | UQJREOJQSMNBFZ-UBVHSMIISA-N |
Product Overview
Pyridin-2-yl 1-thiohexopyranosiduronic acid (CAS 77171-32-5), with molecular formula C11H13NO6S and molecular weight 287.05 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyridin-2-ylsulfanyloxane-2-carboxylic acid.
Chemical Property Profile of Pyridin-2-yl 1-thiohexopyranosiduronic acid
Property Insights of Pyridin-2-yl 1-thiohexopyranosiduronic acid
The XLogP value of -0.2 indicates that Pyridin-2-yl 1-thiohexopyranosiduronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting Pyridin-2-yl 1-thiohexopyranosiduronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 吡啶-2-基1-硫代己吡喃糖醛酸 has 4 hydrogen bond donor(s) and 8 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 吡啶-2-基1-硫代己吡喃糖醛酸?
The CAS number of 吡啶-2-基1-硫代己吡喃糖醛酸 is 77171-32-5.
What is the molecular formula of 吡啶-2-基1-硫代己吡喃糖醛酸?
The molecular formula of 吡啶-2-基1-硫代己吡喃糖醛酸 is C11H13NO6S.
What is the molecular weight of 吡啶-2-基1-硫代己吡喃糖醛酸?
The molecular weight of 吡啶-2-基1-硫代己吡喃糖醛酸 is 287.05 g/mol.
Where can I buy 吡啶-2-基1-硫代己吡喃糖醛酸?
You can request a quote for 吡啶-2-基1-硫代己吡喃糖醛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡啶-2-基1-硫代己吡喃糖醛酸?
Yes, KEHONG BIO provides custom synthesis services for 吡啶-2-基1-硫代己吡喃糖醛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.