10-Deoxygeniposidic acid
TL;DR: 10-Deoxygeniposidic acid (CAS 27741-00-0) is a chemical compound with molecular formula C16H22O9 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aS,7aS)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Also Known As: 10-Deoxygeniposidic acid, Deoxygeniposidic acid, (1S,4aS,7aS)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid, (1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,7aalpha-tetrahydro-7-methylcyclopenta[c]pyran-4-carboxylic acid, (1S)-1alpha-(beta-D-Glucopyranosyloxy)-7-methyl-1,4aalpha,5,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
| Molecular Formula | C16H22O9 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.12637 |
| Heavy Atoms | 25 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 27741-00-0 |
|---|---|
| SMILES | CC1=CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | HOKQPTUPMSNUAF-OGJQONSISA-N |
Product Overview
10-Deoxygeniposidic acid (CAS 27741-00-0), with molecular formula C16H22O9 and molecular weight 358.13 g/mol. IUPAC: (1S,4aS,7aS)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of 10-Deoxygeniposidic acid
Property Insights of 10-Deoxygeniposidic acid
The XLogP value of -1.4 indicates that 10-Deoxygeniposidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 10-Deoxygeniposidic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Deoxygeniposidic acid has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-Deoxygeniposidic acid?
The CAS number of 10-Deoxygeniposidic acid is 27741-00-0.
What is the molecular formula of 10-Deoxygeniposidic acid?
The molecular formula of 10-Deoxygeniposidic acid is C16H22O9.
What is the molecular weight of 10-Deoxygeniposidic acid?
The molecular weight of 10-Deoxygeniposidic acid is 358.13 g/mol.
Where can I buy 10-Deoxygeniposidic acid?
You can request a quote for 10-Deoxygeniposidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Deoxygeniposidic acid?
Yes, KEHONG BIO provides custom synthesis services for 10-Deoxygeniposidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.