Epipassibiflorin
TL;DR: Epipassibiflorin (CAS 97564-59-5) is a chemical compound with molecular formula C18H27NO11 and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
Also Known As: Epipassibiflorin, 1-{[6-O-(6-Deoxyhexopyranosyl)hexopyranosyl]oxy}-4-hydroxycyclopent-2-ene-1-carbonitrile, 1-{[6-O-(6-Deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-4-hydroxycyclopent-2-ene-1-carbonitrile, 2-Cyclopentene-1-carbonitrile, 1-((6-O-(6-deoxy-beta-D-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-4-hydroxy-, 4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
| Molecular Formula | C18H27NO11 |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.15842 |
| Heavy Atoms | 30 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 97564-59-5 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3(CC(C=C3)O)C#N)O)O)O)O)O)O |
| InChIKey | VKYWQQIUMKKPIN-GGJZXZOSSA-N |
Product Overview
Epipassibiflorin (CAS 97564-59-5), with molecular formula C18H27NO11 and molecular weight 433.16 g/mol. IUPAC: 4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile.
Chemical Property Profile of Epipassibiflorin
Property Insights of Epipassibiflorin
The XLogP value of -4.0 indicates that Epipassibiflorin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Epipassibiflorin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epipassibiflorin 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 Epipassibiflorin?
The CAS number of Epipassibiflorin is 97564-59-5.
What is the molecular formula of Epipassibiflorin?
The molecular formula of Epipassibiflorin is C18H27NO11.
What is the molecular weight of Epipassibiflorin?
The molecular weight of Epipassibiflorin is 433.16 g/mol.
Where can I buy Epipassibiflorin?
You can request a quote for Epipassibiflorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epipassibiflorin?
Yes, KEHONG BIO provides custom synthesis services for Epipassibiflorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.