alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-
TL;DR: alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))- (CAS 138381-42-7) is a chemical compound with molecular formula C32H34O11S2 and molecular weight 658.15424 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3aR,5R,6S,6aR)-5-[[(6aR,10aS)-4-methyl-3,3,6,11-tetraoxo-1,2,6a,7,10,10a-hexahydronaphtho[3,2-e][1]benzothiol-9-yl]-hydroxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate
Also Known As: alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-, [(3aR,5R,6S,6aR)-5-[[(6aR,10aS)-4-methyl-3,3,6,11-tetraoxo-1,2,6a,7,10,10a-hexahydronaphtho[3,2-e][1]benzothiol-9-yl]-hydroxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate, 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-(4-methyl-3,3,6,11-tetraoxo-2,3,6,6a,7,10,10a,11-octahydro-1H-3lambda~6~-anthra[2,1-b]thiophen-9-yl)pentofuranose, 3-O-(4-Methylbenzene-1-sulfonyl)-1,2-O-(1-methylethylidene)-5-C-[(6aR,10aS)-4-methyl-3,3,6,11-tetraoxo-2,3,6,6a,7,10,10a,11-octahydro-1H-3lambda~6~-anthra[2,1-b]thiophen-9-yl]-alpha-D-xylofuranose
Technical Specifications
| Molecular Formula | C32H34O11S2 |
| Molecular Weight | 658.15424 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 658.15424 Da |
| Heavy Atoms | 45 |
| Complexity | 1470.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H]3[C@H](O[C@@H]2C(C4=CC[C@@H]5[C@H](C4)C(=O)C6=C(C5=O)C=C(C7=C6CCS7(=O)=O)C)O)OC(O3)(C)C |
| InChIKey | ZPXJOVRCQUNEIY-NYUYOZCFSA-N |
Chemical Property Profile of alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-
Property Insights of alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-. The TPSA of 176.0 Ų indicates high polarity, suggesting alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))- has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-?
The CAS number of alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))- is 138381-42-7.
What is the molecular formula of alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-?
The molecular formula of alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))- is C32H34O11S2.
What is the molecular weight of alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-?
The molecular weight of alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))- is 658.15424 g/mol.
Where can I buy alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-?
You can request a quote for alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))-?
Yes, CoreyChem provides custom synthesis services for alpha-D-Xylofuranose, 1,2-O-(1-methylethylidene)-5-C-(1,2,6,6a,7,10,10a,11-octahydro-4-methyl-6,11-dioxoanthra(2,1-b)thien-9-yl)-, 3-(4-methylbenzenesulfonate), S,S-dioxide, (6aR-(6a-alpha,9(S*),10a-alpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.