Hydramacroside A
TL;DR: Hydramacroside A (CAS 161161-66-6) is a chemical compound with molecular formula C28H36O12 and molecular weight 564.2207 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
Also Known As: Hydramacroside A, (3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one, (3R,4aS)-5-Ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl beta-D-glucopyranoside, 5-Ethenyl-3-[4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl hexopyranoside
Technical Specifications
| Molecular Formula | C28H36O12 |
| Molecular Weight | 564.2207 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 564.2207 Da |
| Heavy Atoms | 40 |
| Complexity | 915.0 |
| SMILES | C=CC1[C@@H]2C[C@@H](OC(=O)C2=COC1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)C[C@H](CCC4=CC=C(C=C4)O)O |
| InChIKey | RUFLRJSDVWBAIK-ANTYXGBGSA-N |
Chemical Property Profile of Hydramacroside A
Property Insights of Hydramacroside A
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydramacroside A. The TPSA of 192.0 Ų indicates high polarity, suggesting Hydramacroside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydramacroside A has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hydramacroside A?
The CAS number of Hydramacroside A is 161161-66-6.
What is the molecular formula of Hydramacroside A?
The molecular formula of Hydramacroside A is C28H36O12.
What is the molecular weight of Hydramacroside A?
The molecular weight of Hydramacroside A is 564.2207 g/mol.
Where can I buy Hydramacroside A?
You can request a quote for Hydramacroside A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydramacroside A?
Yes, CoreyChem provides custom synthesis services for Hydramacroside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.