![Hastatoside [M+H]+ structure](/static/products/508/50816-24-5.png)
Hastatoside [M+H]+
TL;DR: Hastatoside [M+H]+ (CAS 50816-24-5) is a chemical compound with molecular formula C17H24O11 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4a-hydroxy-7-methyl-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Hastatoside, Hastatoside [M+H]+, 9511AF, methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate, Methyl 1-(hexopyranosyloxy)-4a-hydroxy-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate #
| Molecular Formula | C17H24O11 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.13187 |
| Heavy Atoms | 28 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 50816-24-5 |
|---|---|
| SMILES | CC1CC(=O)C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O |
| InChIKey | PRZVXHGUJJPSME-UHFFFAOYSA-N |
Product Overview
Hastatoside [M+H]+ (CAS 50816-24-5), with molecular formula C17H24O11 and molecular weight 404.13 g/mol. IUPAC: methyl 4a-hydroxy-7-methyl-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Hastatoside [M+H]+
Property Insights of Hastatoside [M+H]+
The XLogP value of -1.7 indicates that Hastatoside [M+H]+ is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting Hastatoside [M+H]+ may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hastatoside [M+H]+ has 5 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 Hastatoside [M+H]+?
The CAS number of Hastatoside [M+H]+ is 50816-24-5.
What is the molecular formula of Hastatoside [M+H]+?
The molecular formula of Hastatoside [M+H]+ is C17H24O11.
What is the molecular weight of Hastatoside [M+H]+?
The molecular weight of Hastatoside [M+H]+ is 404.13 g/mol.
Where can I buy Hastatoside [M+H]+?
You can request a quote for Hastatoside [M+H]+ directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hastatoside [M+H]+?
Yes, KEHONG BIO provides custom synthesis services for Hastatoside [M+H]+ and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.