Acobioside A
TL;DR: Acobioside A (CAS 359-62-6) is a chemical compound with molecular formula C36H56O14 and molecular weight 712.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Acobioside a, Bis(trifluoromethyl)fluoroamine, Bis(trifluoromethyl) fluoroamine, KST-1A4198, J1.030.866F
| Molecular Formula | C36H56O14 |
|---|---|
| Molecular Weight | 712.37 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 712.367 |
| Heavy Atoms | 50 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 359-62-6 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | CMUOOPXNBJLJQK-KZYPCYBJSA-N |
Product Overview
Acobioside A (CAS 359-62-6), with molecular formula C36H56O14 and molecular weight 712.37 g/mol. IUPAC: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Acobioside A
Property Insights of Acobioside A
The XLogP value of -0.5 indicates that Acobioside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.0 Ų indicates high polarity, suggesting Acobioside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acobioside A has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acobioside A?
The CAS number of Acobioside A is 359-62-6.
What is the molecular formula of Acobioside A?
The molecular formula of Acobioside A is C36H56O14.
What is the molecular weight of Acobioside A?
The molecular weight of Acobioside A is 712.37 g/mol.
Where can I buy Acobioside A?
You can request a quote for Acobioside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acobioside A?
Yes, KEHONG BIO provides custom synthesis services for Acobioside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.