TL;DR: Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2S*,5R*),7'beta,8'beta))- (CAS 136176-59-5) is a chemical compound with molecular formula C19H22O5 and molecular weight 330.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5'-(furan-3-yl)-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3-diene-9,3'-oxolane]-2',11-diol
Also Known As: Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2S*,5R*),7'beta,8'beta))-, 5'-(Furan-3-yl)-7-methyl-3,4,5,5a,7,8-hexahydrospiro[naphtho[1,8-bc]furan-6,3'-oxolane]-2',8-diol
| Molecular Formula | C19H22O5 |
| Molecular Weight | 330.14673 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.14673 Da |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
| SMILES | CC1C(C2=C3C(C14CC(OC4O)C5=COC=C5)CCCC3=CO2)O |
| InChIKey | OHZUKELNHGLALS-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2S*,5R*),7'beta,8'beta))-. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2S*,5R*),7'beta,8'beta))-. Following Lipinski's Rule of Five, Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2S*,5R*),7'beta,8'beta))- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2S*,5R*),7'beta,8'beta))- is 136176-59-5.
The molecular formula of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2S*,5R*),7'beta,8'beta))- is C19H22O5.
The molecular weight of Spiro(furan-3(2H),6'-(6H)naphtho(1,8-bc)furan)-2,8'-diol, 5-(3-furanyl)-3',4,4',5,5',5'a,7',8'-octahydro-7'-methyl-, (5'aS-(5'aalpha,6'beta(2S*,5R*),7'beta,8'beta))- is 330.14673 g/mol.
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