Deltonin
TL;DR: Deltonin (CAS 55659-75-1) is a chemical compound with molecular formula C45H72O17 and molecular weight 884.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Deltonin
| Molecular Formula | C45H72O17 |
|---|---|
| Molecular Weight | 884.48 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 884.4769 |
| Heavy Atoms | 62 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 55659-75-1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 |
| InChIKey | OLAMGHNQGZIWHZ-LEXQIOBWSA-N |
Product Overview
Deltonin (CAS 55659-75-1), with molecular formula C45H72O17 and molecular weight 884.48 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Deltonin
Property Insights of Deltonin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deltonin. The TPSA of 256.0 Ų indicates high polarity, suggesting Deltonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deltonin has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deltonin?
The CAS number of Deltonin is 55659-75-1.
What is the molecular formula of Deltonin?
The molecular formula of Deltonin is C45H72O17.
What is the molecular weight of Deltonin?
The molecular weight of Deltonin is 884.48 g/mol.
Where can I buy Deltonin?
You can request a quote for Deltonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deltonin?
Yes, KEHONG BIO provides custom synthesis services for Deltonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.