1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose
TL;DR: 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose (CAS 19764-03-5) is a chemical compound with molecular formula C12H21NO10S2 and molecular weight 403.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-N-sulfooxyhex-5-enimidothioate
Also Known As: Gluconapoleiferin, Napoleiferin, 2-Hydroxy-4-pentenylglycosinolae, 2-Hydroxy-4-pentenyl glucosinolate, Gluconapoleiferin (2-Hydroxy-4-enyl-GS)
| Molecular Formula | C12H21NO10S2 |
|---|---|
| Molecular Weight | 403.06 g/mol |
| LogP | -2.0205 |
| Topological Polar Surface Area | 186.34 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.0607 |
| Heavy Atoms | 25 |
| Complexity | 566.24316 |
Chemical Identifiers
| CAS Number | 19764-03-5 |
|---|---|
| SMILES | C=CC[C@@H](CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
Product Overview
1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose (CAS 19764-03-5), with molecular formula C12H21NO10S2 and molecular weight 403.06 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-N-sulfooxyhex-5-enimidothioate.
Chemical Property Profile of 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose
Property Insights of 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose
The XLogP value of -2.0205 indicates that 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.34 Ų indicates high polarity, suggesting 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose?
The CAS number of 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose is 19764-03-5.
What is the molecular formula of 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose?
The molecular formula of 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose is C12H21NO10S2.
What is the molecular weight of 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose?
The molecular weight of 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose is 403.06 g/mol.
Where can I buy 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose?
You can request a quote for 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose?
Yes, KEHONG BIO provides custom synthesis services for 1-S-(3-Hydroxy-N-(sulfooxy)hex-5-enimidoyl)-1-thiohexopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.