Aplanin
TL;DR: Aplanin (CAS 65098-54-6) is a chemical compound with molecular formula C25H44O19 and molecular weight 648.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-2-[(1R,3R,4S)-4-[(3S,5R,6R)-4,5-dihydroxy-2-methyl-6-[(3R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Aplanin, Bay e 4609, Bay-e 4609, BAY e4609, BAY-e-4609
| Molecular Formula | C25H44O19 |
|---|---|
| Molecular Weight | 648.25 g/mol |
| LogP | -8.0576 |
| Topological Polar Surface Area | 318.37 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 648.2477 |
| Heavy Atoms | 44 |
| Complexity | 895.50757 |
Chemical Identifiers
| CAS Number | 65098-54-6 |
|---|---|
| SMILES | CC1[C@H](C([C@H]([C@H](O1)O[C@H]2C(O[C@H]([C@H](C2O)O)O)CO)O)O)O[C@H]3CC([C@H](C([C@H]3O)O)O[C@@H]4[C@@H](C(C(C(O4)CO)O)O)O)CO |
Product Overview
Aplanin (CAS 65098-54-6), with molecular formula C25H44O19 and molecular weight 648.25 g/mol. IUPAC: (2S,3R)-2-[(1R,3R,4S)-4-[(3S,5R,6R)-4,5-dihydroxy-2-methyl-6-[(3R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Aplanin
Property Insights of Aplanin
The XLogP value of -8.0576 indicates that Aplanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.37 Ų indicates high polarity, suggesting Aplanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aplanin has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aplanin?
The CAS number of Aplanin is 65098-54-6.
What is the molecular formula of Aplanin?
The molecular formula of Aplanin is C25H44O19.
What is the molecular weight of Aplanin?
The molecular weight of Aplanin is 648.25 g/mol.
Where can I buy Aplanin?
You can request a quote for Aplanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aplanin?
Yes, KEHONG BIO provides custom synthesis services for Aplanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.