Officinalisin II
TL;DR: Officinalisin II (CAS 57944-19-1) is a chemical compound with molecular formula C50H84O23 and molecular weight 1052.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[6-hydroxy-16-[4-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Officinalisin II, Officinalisnin II, Officinalisnin-II, 3-((Hexopyranosyl-(1->2)-(pentopyranosyl-(1->4))hexopyranosyl)oxy)-22-hydroxyfurostan-27-yl hexopyranoside, 3-{[Hexopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-22-hydroxyfurostan-27-yl hexopyranoside
| Molecular Formula | C50H84O23 |
|---|---|
| Molecular Weight | 1052.54 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 366.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 15 |
| Exact Mass | 1052.5403 |
| Heavy Atoms | 73 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 57944-19-1 |
|---|---|
| SMILES | CC1C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(CO7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O |
| InChIKey | TUDCHFPLNJLAIG-UHFFFAOYSA-N |
Product Overview
Officinalisin II (CAS 57944-19-1), with molecular formula C50H84O23 and molecular weight 1052.54 g/mol. IUPAC: 2-[4-[6-hydroxy-16-[4-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Officinalisin II
Property Insights of Officinalisin II
The XLogP value of -1.4 indicates that Officinalisin II is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 366.0 Ų indicates high polarity, suggesting Officinalisin II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Officinalisin II has 14 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Officinalisin II?
The CAS number of Officinalisin II is 57944-19-1.
What is the molecular formula of Officinalisin II?
The molecular formula of Officinalisin II is C50H84O23.
What is the molecular weight of Officinalisin II?
The molecular weight of Officinalisin II is 1052.54 g/mol.
Where can I buy Officinalisin II?
You can request a quote for Officinalisin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Officinalisin II?
Yes, KEHONG BIO provides custom synthesis services for Officinalisin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.