Secologanin dimethyl acetal
TL;DR: Secologanin dimethyl acetal (CAS 77988-07-9) is a chemical compound with molecular formula C19H30O11 and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Also Known As: Secologanin dimethyl acetal, secologanin dimethylacetal, methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate, 2H-Pyran-5-carboxylic acid, 4-(2,2-dimethoxyethyl)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester, (2S,3R,4S)-, Secologanoside-7- methyl ester, (-)-Secologanin dimethyl acetal
| Molecular Formula | C19H30O11 |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 434.1788 |
| Heavy Atoms | 30 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 77988-07-9 |
|---|---|
| SMILES | COC(C[C@H]1[C@H]([C@@H](OC=C1C(=O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=C)OC |
| InChIKey | HUVIXLWRQSMCLN-PXRCHJMLSA-N |
Product Overview
Secologanin dimethyl acetal (CAS 77988-07-9), with molecular formula C19H30O11 and molecular weight 434.18 g/mol. IUPAC: methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate.
Chemical Property Profile of Secologanin dimethyl acetal
Property Insights of Secologanin dimethyl acetal
The XLogP value of -0.8 indicates that Secologanin dimethyl acetal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.0 Ų indicates high polarity, suggesting Secologanin dimethyl acetal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Secologanin dimethyl acetal has 4 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 Secologanin dimethyl acetal?
The CAS number of Secologanin dimethyl acetal is 77988-07-9.
What is the molecular formula of Secologanin dimethyl acetal?
The molecular formula of Secologanin dimethyl acetal is C19H30O11.
What is the molecular weight of Secologanin dimethyl acetal?
The molecular weight of Secologanin dimethyl acetal is 434.18 g/mol.
Where can I buy Secologanin dimethyl acetal?
You can request a quote for Secologanin dimethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Secologanin dimethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Secologanin dimethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.