Proteacin
TL;DR: Proteacin (CAS 22660-96-4) is a chemical compound with molecular formula C20H27NO12 and molecular weight 473.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
Also Known As: Proteacin, J1.361.290K, (2S)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile, (Hexopyranosyloxy)[4-(hexopyranosyloxy)phenyl]acetonitrile, Acetonitrile, (beta-D-glucopyranosyloxy)(p-(beta-D-glucopyranosyloxy)phenyl)-, (S)-
| Molecular Formula | C20H27NO12 |
|---|---|
| Molecular Weight | 473.15 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.15332 |
| Heavy Atoms | 33 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 22660-96-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | RJPLGQRRNXUSQI-UUGBRMIUSA-N |
Product Overview
Proteacin (CAS 22660-96-4), with molecular formula C20H27NO12 and molecular weight 473.15 g/mol. IUPAC: (2S)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile.
Chemical Property Profile of Proteacin
Property Insights of Proteacin
The XLogP value of -2.7 indicates that Proteacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.0 Ų indicates high polarity, suggesting Proteacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Proteacin 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 Proteacin?
The CAS number of Proteacin is 22660-96-4.
What is the molecular formula of Proteacin?
The molecular formula of Proteacin is C20H27NO12.
What is the molecular weight of Proteacin?
The molecular weight of Proteacin is 473.15 g/mol.
Where can I buy Proteacin?
You can request a quote for Proteacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proteacin?
Yes, KEHONG BIO provides custom synthesis services for Proteacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.