(2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate
TL;DR: (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate (CAS 136176-63-1) is a chemical compound with molecular formula C26H34O10 and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate, Dispiro(furan-3(2H),1'(5'H)-naphthalene-5',2''-oxirane)-2,3',4'-triol, 5-(3-furanyl)decahydro-4'a-(hydroxymethyl)-2'-methyl-, 2,3',4'-triacetate, (1'S-(1'alpha(2R*,5R*),2'alpha,3'alpha,4'alpha,4'aalpha,5'alpha,8'abeta))-, (2''S,5''S,6'S,7'S)-5''-(Furan-3-yl)-8'a-(hydroxymethyl)-6'-methyloctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolane]-2'',7',8'-triyl triacetate, 5''-(Furan-3-yl)-8'a-(hydroxymethyl)-6'-methyloctahydrodispiro[oxirane-2,1'-naphthalene-5',3''-oxolane]-2'',7',8'-triyl triacetate
| Molecular Formula | C26H34O10 |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.2152 |
| Heavy Atoms | 36 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 136176-63-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H](C(C2(C(C13C[C@H](O[C@H]3OC(=O)C)C4=COC=C4)CCCC25CO5)CO)OC(=O)C)OC(=O)C |
| InChIKey | VOZXZVMHRJCAMH-UZSWBXJJSA-N |
Product Overview
(2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate (CAS 136176-63-1), with molecular formula C26H34O10 and molecular weight 506.22 g/mol.
Chemical Property Profile of (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate
Property Insights of (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate. Following Lipinski's Rule of Five, (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate?
The CAS number of (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate is 136176-63-1.
What is the molecular formula of (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate?
The molecular formula of (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate is C26H34O10.
What is the molecular weight of (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate?
The molecular weight of (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate is 506.22 g/mol.
Where can I buy (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate?
You can request a quote for (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for (2S,2'S,3'S,5S)-5-(3-Furyl)-4a'-(hydroxymethyl)-2'-methyldecahydrodispiro(furan-3,1'-naphthalene-5',2''-oxirane)-2,3',4'-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.