3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside
TL;DR: 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside (CAS 84863-60-5) is a chemical compound with molecular formula C26H44O11 and molecular weight 532.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,9,14-tetramethyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14-pentol
Also Known As: 14-O-Glucosylgrayanotoxin III, 7,9a-Methano-9aH-cyclopenta(b)heptalene-2,4,8,11,11a-pentol, tetradecahydro-12-(beta-D-glucopyranosyloxy)-1,1,4,8-tetramethyl-, (2S,3as,4R,4ar,7R,8R,9as,11R,11aR,12R)-, 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside, RefChem:1065855, BRN 7179913
| Molecular Formula | C26H44O11 |
|---|---|
| Molecular Weight | 532.29 g/mol |
| LogP | -2.0075 |
| Topological Polar Surface Area | 200.53 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 532.2884 |
| Heavy Atoms | 37 |
| Complexity | 891.74866 |
Chemical Identifiers
| CAS Number | 84863-60-5 |
|---|---|
| SMILES | CC1(C(CC2C1(C(CC34CC(C(C3OC5C(C(C(C(O5)CO)O)O)O)CCC4C2(C)O)(C)O)O)O)O)C |
Product Overview
3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside (CAS 84863-60-5), with molecular formula C26H44O11 and molecular weight 532.29 g/mol. IUPAC: 5,5,9,14-tetramethyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14-pentol.
Chemical Property Profile of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside
Property Insights of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside
The XLogP value of -2.0075 indicates that 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.53 Ų indicates high polarity, suggesting 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside has 9 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 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside?
The CAS number of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside is 84863-60-5.
What is the molecular formula of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside?
The molecular formula of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside is C26H44O11.
What is the molecular weight of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside?
The molecular weight of 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside is 532.29 g/mol.
Where can I buy 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside?
You can request a quote for 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 3,5,6,10,16-Pentahydroxygrayanotoxan-14-yl hexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.