Ouabain acetonide
TL;DR: Ouabain acetonide (CAS 27799-55-9) is a chemical compound with molecular formula C32H48O12 and molecular weight 624.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1R,3S,5S,10R,11R,13R,14S,17R)-3-[[(3aR,6S)-7-hydroxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Ouabain acetonide, O-Isopropylidene ouabain, Mono-O-isopropylidene ouabain, 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3,4-O-isopropylidene-alpha-L-mannopyranosyl)oxy)-1-beta,5,11-alpha,14,19-pentahydroxy-, (8xi,9xi)-3beta-{[6-Deoxy-3,4-O-(1-methylethylidene)-alpha-D-glycero-hexopyranosyl]oxy}-1beta,5,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide
| Molecular Formula | C32H48O12 |
|---|---|
| Molecular Weight | 624.31 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 624.3146 |
| Heavy Atoms | 44 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 27799-55-9 |
|---|---|
| SMILES | CC1[C@@H]2C(C([C@H](O1)O[C@H]3C[C@H]([C@@]4(C5[C@@H](C[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)O)CO)O)O)OC(O2)(C)C |
| InChIKey | DVBXVYPNGNXGSG-SRUVFUBXSA-N |
Product Overview
Ouabain acetonide (CAS 27799-55-9), with molecular formula C32H48O12 and molecular weight 624.31 g/mol. IUPAC: 3-[(1R,3S,5S,10R,11R,13R,14S,17R)-3-[[(3aR,6S)-7-hydroxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Ouabain acetonide
Property Insights of Ouabain acetonide
The XLogP value of -0.1 indicates that Ouabain acetonide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Ouabain acetonide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ouabain acetonide has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ouabain acetonide?
The CAS number of Ouabain acetonide is 27799-55-9.
What is the molecular formula of Ouabain acetonide?
The molecular formula of Ouabain acetonide is C32H48O12.
What is the molecular weight of Ouabain acetonide?
The molecular weight of Ouabain acetonide is 624.31 g/mol.
Where can I buy Ouabain acetonide?
You can request a quote for Ouabain acetonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ouabain acetonide?
Yes, KEHONG BIO provides custom synthesis services for Ouabain acetonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.