Dthpsad
TL;DR: Dthpsad (CAS 54959-69-2) is a chemical compound with molecular formula C42H46O16 and molecular weight 806.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-1,9-dihydroxy-10a-methoxycarbonyl-6-methyl-5-(oxan-2-yloxy)-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-3-methyl-4-(oxan-2-yloxy)-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Also Known As: Dthpsad, 5-Di-(2 -tetrahydropyranyl)SAD, J1.348.446E, 5-Di-(2'-tetrahydropyranosyl)secalonic acid D, 5,5'-Bis(2'-tetrahydropyranosyl)secalonic acid D
| Molecular Formula | C42H46O16 |
|---|---|
| Molecular Weight | 806.28 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 806.27856 |
| Heavy Atoms | 58 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 54959-69-2 |
|---|---|
| SMILES | C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@@H]([C@H](CC(=O)C6=C5O)C)OC7CCCCO7)C(=O)OC)O)O[C@]2([C@@H]1OC8CCCCO8)C(=O)OC)O |
| InChIKey | ZEKDALNPHROOQM-NMCHXRFNSA-N |
Product Overview
Dthpsad (CAS 54959-69-2), with molecular formula C42H46O16 and molecular weight 806.28 g/mol. IUPAC: methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-1,9-dihydroxy-10a-methoxycarbonyl-6-methyl-5-(oxan-2-yloxy)-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-3-methyl-4-(oxan-2-yloxy)-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate.
Chemical Property Profile of Dthpsad
Property Insights of Dthpsad
The XLogP value of 4.8 indicates that Dthpsad is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.0 Ų indicates high polarity, suggesting Dthpsad may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dthpsad has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dthpsad?
The CAS number of Dthpsad is 54959-69-2.
What is the molecular formula of Dthpsad?
The molecular formula of Dthpsad is C42H46O16.
What is the molecular weight of Dthpsad?
The molecular weight of Dthpsad is 806.28 g/mol.
Where can I buy Dthpsad?
You can request a quote for Dthpsad directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dthpsad?
Yes, KEHONG BIO provides custom synthesis services for Dthpsad and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.