Sinuatol
TL;DR: Sinuatol (CAS 78053-02-8) is a chemical compound with molecular formula C21H32O13 and molecular weight 492.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6S)-6-[[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-3,4,5-triol
Also Known As: SINUATOL, 6-O-alpha-L-Rhamnopyranosylaucubin, beta-D-Glucopyranoside, 5-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl, (1S,4aR,5S,7aS)-, (2S,3S,4R,5R,6S)-6-[[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-3,4,5-triol, RefChem:183175
| Molecular Formula | C21H32O13 |
|---|---|
| Molecular Weight | 492.18 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.1843 |
| Heavy Atoms | 34 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 78053-02-8 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@]2([C@H]([C@@H]([C@H]([C@H](O2)OC3[C@H]4[C@H](CC=C4CO)C=CO3)O)O)O)CO)O)O)O |
| InChIKey | CPFVYIBUHVFULO-KVZRVIIFSA-N |
Product Overview
Sinuatol (CAS 78053-02-8), with molecular formula C21H32O13 and molecular weight 492.18 g/mol. IUPAC: (2S,3S,4R,5R,6S)-6-[[(4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-2-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-3,4,5-triol.
Chemical Property Profile of Sinuatol
Property Insights of Sinuatol
The XLogP value of -3.8 indicates that Sinuatol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting Sinuatol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sinuatol has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sinuatol?
The CAS number of Sinuatol is 78053-02-8.
What is the molecular formula of Sinuatol?
The molecular formula of Sinuatol is C21H32O13.
What is the molecular weight of Sinuatol?
The molecular weight of Sinuatol is 492.18 g/mol.
Where can I buy Sinuatol?
You can request a quote for Sinuatol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sinuatol?
Yes, KEHONG BIO provides custom synthesis services for Sinuatol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.