8-epi-Valerosidate
TL;DR: 8-epi-Valerosidate (CAS 88586-75-8) is a chemical compound with molecular formula C21H34O11 and molecular weight 462.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
Also Known As: 8-epi-Valerosidate, [(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate, beta-D-Glucopyranoside, (1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl,(1S,4aS,6R,7S,7aS)-, methyl 1-C-{(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-1-[(3-methylbutanoyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl}-beta-D-glucopyranoside, Methyl 1-C-{6,7-dihydroxy-7-methyl-1-[(3-methylbutanoyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl}hexopyranoside
| Molecular Formula | C21H34O11 |
|---|---|
| Molecular Weight | 462.21 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.2101 |
| Heavy Atoms | 32 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 88586-75-8 |
|---|---|
| SMILES | CC(C)CC(=O)O[C@H]1[C@H]2[C@H](C[C@H]([C@@]2(C)O)O)C(=CO1)[C@@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC |
| InChIKey | CBSFNBFNBQFAQG-ALWYBGAQSA-N |
Product Overview
8-epi-Valerosidate (CAS 88586-75-8), with molecular formula C21H34O11 and molecular weight 462.21 g/mol. IUPAC: [(1S,4aS,6R,7S,7aS)-6,7-dihydroxy-7-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate.
Chemical Property Profile of 8-epi-Valerosidate
Property Insights of 8-epi-Valerosidate
The XLogP value of -1.9 indicates that 8-epi-Valerosidate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 8-epi-Valerosidate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-epi-Valerosidate has 6 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 8-epi-Valerosidate?
The CAS number of 8-epi-Valerosidate is 88586-75-8.
What is the molecular formula of 8-epi-Valerosidate?
The molecular formula of 8-epi-Valerosidate is C21H34O11.
What is the molecular weight of 8-epi-Valerosidate?
The molecular weight of 8-epi-Valerosidate is 462.21 g/mol.
Where can I buy 8-epi-Valerosidate?
You can request a quote for 8-epi-Valerosidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-epi-Valerosidate?
Yes, KEHONG BIO provides custom synthesis services for 8-epi-Valerosidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.