TL;DR: teniposide (CAS 53956-10-8) is a chemical compound with molecular formula C32H32O13S and molecular weight 656.1564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5aR,8aR,9R)-5-[[(4aR,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
Also Known As: teniposide, KST-1A5976, (5aR,8aR,9R)-5-[[(4aR,7R,8R,8aS)-7,8-dihydroxy-2-thiophen-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, (5ar,8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-o-(thiophen-2-ylmethylidene)-d-glucopyranoside, (5aR,8aR,9R)-5-[[(4aR,7R,8R,8aS)-7,8-dihydroxy-2-(2-thienyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
| Molecular Formula | C32H32O13S |
| Molecular Weight | 656.1564 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 656.1564 Da |
| Heavy Atoms | 46 |
| Complexity | 1090.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6[C@@H]([C@H]([C@H]7[C@H](O6)COC(O7)C8=CC=CS8)O)O |
| InChIKey | NRUKOCRGYNPUPR-UFIZICQUSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for teniposide. The TPSA of 189.0 Ų indicates high polarity, suggesting teniposide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, teniposide has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of teniposide is 53956-10-8.
The molecular formula of teniposide is C32H32O13S.
The molecular weight of teniposide is 656.1564 g/mol.
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