3-Deoxy-beta-manno-2-octulosonic acid thioglycoside
TL;DR: 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside (CAS 15317-17-6) is a chemical compound with molecular formula C12H23O10PS2 and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid
Also Known As: beta-Kdo thioglycoside, 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside, (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid, 3-[(phosphonomethyl)sulfanyl]propyl 3-deoxy-2-thio-, A-d-manno-oct-2-ulopyranosidonic acid
| Molecular Formula | C12H23O10PS2 |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.04703 |
| Heavy Atoms | 25 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 15317-17-6 |
|---|---|
| SMILES | C1[C@H]([C@H]([C@H](O[C@@]1(C(=O)O)SCCCSCP(=O)(O)O)[C@@H](CO)O)O)O |
| InChIKey | AYIOJQCPSDUSRV-SANCVJEGSA-N |
Product Overview
3-Deoxy-beta-manno-2-octulosonic acid thioglycoside (CAS 15317-17-6), with molecular formula C12H23O10PS2 and molecular weight 422.05 g/mol. IUPAC: (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-2-[3-(phosphonomethylsulfanyl)propylsulfanyl]oxane-2-carboxylic acid.
Chemical Property Profile of 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside
Property Insights of 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside
The XLogP value of -2.2 indicates that 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside has 7 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 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside?
The CAS number of 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside is 15317-17-6.
What is the molecular formula of 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside?
The molecular formula of 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside is C12H23O10PS2.
What is the molecular weight of 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside?
The molecular weight of 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside is 422.05 g/mol.
Where can I buy 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside?
You can request a quote for 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside?
Yes, KEHONG BIO provides custom synthesis services for 3-Deoxy-beta-manno-2-octulosonic acid thioglycoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.