Proacaciberin
TL;DR: Proacaciberin (CAS 79197-21-0) is a chemical compound with molecular formula C16H25NO10 and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-3-enenitrile
Also Known As: Proacaciberin, 3-Butenenitrile, 2-((6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranosyl)oxy)-3-methyl-, (2S)-, (2S)-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-3-enenitrile
| Molecular Formula | C16H25NO10 |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.14786 |
| Heavy Atoms | 27 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 79197-21-0 |
|---|---|
| SMILES | CC(=C)[C@@H](C#N)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O)O)O)O |
| InChIKey | BHUCUDQLYLLDIA-ZROVCDEISA-N |
Product Overview
Proacaciberin (CAS 79197-21-0), with molecular formula C16H25NO10 and molecular weight 391.15 g/mol. IUPAC: (2S)-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-3-enenitrile.
Chemical Property Profile of Proacaciberin
Property Insights of Proacaciberin
The XLogP value of -2.9 indicates that Proacaciberin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting Proacaciberin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Proacaciberin 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 Proacaciberin?
The CAS number of Proacaciberin is 79197-21-0.
What is the molecular formula of Proacaciberin?
The molecular formula of Proacaciberin is C16H25NO10.
What is the molecular weight of Proacaciberin?
The molecular weight of Proacaciberin is 391.15 g/mol.
Where can I buy Proacaciberin?
You can request a quote for Proacaciberin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Proacaciberin?
Yes, KEHONG BIO provides custom synthesis services for Proacaciberin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.