![[[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate structure](/static/products/2846/28463-23-2.webp)
[[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate
TL;DR: [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate (CAS 28463-23-2) is a chemical compound with molecular formula C12H21NO10S3 and molecular weight 435.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate
Also Known As: N/A
| Molecular Formula | C12H21NO10S3 |
|---|---|
| Molecular Weight | 435.03 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 218.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.03275 |
| Heavy Atoms | 26 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 28463-23-2 |
|---|---|
| SMILES | CSC=CCC(C(=O)NOS(=O)(=O)O)[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)S |
| InChIKey | SWJBBJAXMGWLFJ-GNYDOHAMSA-N |
Product Overview
[[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate (CAS 28463-23-2), with molecular formula C12H21NO10S3 and molecular weight 435.03 g/mol. IUPAC: [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate.
Chemical Property Profile of [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate
Property Insights of [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate
The XLogP value of -2.1 indicates that [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate 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 [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate?
The CAS number of [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate is 28463-23-2.
What is the molecular formula of [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate?
The molecular formula of [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate is C12H21NO10S3.
What is the molecular weight of [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate?
The molecular weight of [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate is 435.03 g/mol.
Where can I buy [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate?
You can request a quote for [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate?
Yes, KEHONG BIO provides custom synthesis services for [[5-methylsulfanyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-2-yl]pent-4-enoyl]amino] hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.