Isohomohalichondrin B
TL;DR: Isohomohalichondrin B (CAS 157078-48-3) is a chemical compound with molecular formula C61H86O19 and molecular weight 1122.5763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: Isohomohalichondrin B, Ihb cpd, (1''S-(1''R*,2''S*,3''aS*,3''bR*,5''R*,8''R*,11''R*,14 ''R*,16''S*,18''S*,19''aR*,20''aR*,21''aS*,23''S*(3'aR*,5'S*,(4R*,4aR*,6S*,7S*,8aR*),7'R*,7'aR*),24''aS*,25''aR*,26''R*,26''aS*,30''S*,31''aR*,32''R*,33''aS*))-Tetracontahydro-7-hydroxy-6-(4-hydroxy-2-oxobutyl)-4,7',16'',26''-tetramethyl-10'',17''-bis(methylene)dispiro(pyrano(3,2-b)pyran-2(3H),5'-(5H)furo(3,2-b)pyran-2'(3'H),23''(6''H)-(1,5:8,11:14,18)triepoxy(30,32)ethano(2,5)methano(2H,5H,2, (1''S-(1''R*,2''S*,3''aS*,3''bR*,5''R*,8''R*,11''R*,14 ''R*,16''S*,18''S*,19''aR*,20''aR*,21''aS*,23''S*(3'aR*,5'S*,(4R*,4aR*,6S*,7S*,8aR*),7'R*,7'aR*),24''aS*,25''aR*,26''R*,26''aS*,30''S*,31''aR*,32''R*,33''aS*))-Tetracontahydro-7-hydroxy-6-(4-hydroxy-2-oxobutyl)-4,7',16'',26''-tetramethyl-10'',17''-bis(methylene)dispiro(pyrano(3,2-b)pyran-2(3H),5'-(5H)furo(3,2-b)pyran-2'(3'H),23''(6''H)-(1,5:8,11:14,18)triepoxy(30,32)ethano(2,5)methano(2H,5H,28H)furo(2',3':5,6)pyrano(4,3-b)furo(2'',3'':5',6')pyrano(2',3':5,6)pyrano(3,2-i)(1,4,8)trioxacyclopentacosin)-28''-one, Dispiro(pyrano(3,2-b)pyran-2(3H),5'(5H)furo(3,2-b)pyran-2'(3'H),23''(6''H)-(1,5:8,11:14,18)triepoxy(30,32)ethano(2,5)methano(2H,5H,28H)furo(2',3':5,6)pyrano(4,3-b)furo(2'',3'':5',6')pyrano(2',3':5,6)pyrano(3,2-i)(1,4,8)trioxacyclopentacosin)-28''-one, tetracontahydro-7-hydroxy-6-(4-hydroxy-2-oxobutyl)-4,7',16'',26''-tetramethyl-10'',17''-bis(methylene)-, (1''S-(1''R*,2''S*,3''aS*,3''bR*,5''R*,8''R*,11''R*,14''R*,16''S*,18''S*,19''aR*,20''aR*,21''aS*,23''S*(3'aR*,5'S*,4R*,4aR*,6S*,7S*,8aR*),7'R*,7'aR*),24''aS*,25''aR*,26''R*,26''aS*,30''S*,31''aR*,32''R*,33''aS*))-
Technical Specifications
| Molecular Formula | C61H86O19 |
| Molecular Weight | 1122.5763 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 4 |
| Exact Mass | 1122.5763 Da |
| Heavy Atoms | 80 |
| Complexity | 2410.0 |
| SMILES | CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC(C(O4)CC(=O)CCO)O)C)C)OC9CC(C1=C)O2)C |
| InChIKey | WVWWZNXKZNACRW-UHFFFAOYSA-N |
Chemical Property Profile of Isohomohalichondrin B
Property Insights of Isohomohalichondrin B
The XLogP value of 3.4 indicates that Isohomohalichondrin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.0 Ų indicates high polarity, suggesting Isohomohalichondrin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isohomohalichondrin B has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isohomohalichondrin B?
The CAS number of Isohomohalichondrin B is 157078-48-3.
What is the molecular formula of Isohomohalichondrin B?
The molecular formula of Isohomohalichondrin B is C61H86O19.
What is the molecular weight of Isohomohalichondrin B?
The molecular weight of Isohomohalichondrin B is 1122.5763 g/mol.
Where can I buy Isohomohalichondrin B?
You can request a quote for Isohomohalichondrin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isohomohalichondrin B?
Yes, CoreyChem provides custom synthesis services for Isohomohalichondrin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.