CAS 157297-04-6 is the registry number for Neocarrahexadecaose-41,3,5,7,9,11,13,15-octa-O-sulfate sodium salt. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg, 20mg, 10mg.
Octasodium;[(2R,3S,4R,5R,6S)-4-[[(1R,3R,4R,5S,8S)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-6-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2R,3R,4R,5R)-2,5,6-trihydroxy-1-oxo-4-sulfonatooxyhexan-3-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-2-(hydroxymethyl)oxan-3-yl] sulfate (CAS 157297-04-6) is a chemical compound with the molecular formula C96H138Na8O97S8 and a molecular weight of 3284.5 g/mol. IUPAC name: octasodium;[(2R,3S,4R,5R,6S)-4-[[(1R,3R,4R,5S,8S)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-6-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2R,3R,4R,5R)-2,5,6-trihydroxy-1-oxo-4-sulfonatooxyhexan-3-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-2-(hydroxymethyl)oxan-3-yl] sulfate. InChIKey: OHYXSPYSIRUMQU-KQOQITQLSA-F.
| Molecular formula | C96H138Na8O97S8 |
|---|---|
| Molecular weight | 3284.5 g/mol |
| IUPAC name | octasodium;[(2R,3S,4R,5R,6S)-4-[[(1R,3R,4R,5S,8S)-4,8-dihydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-5-hydroxy-6-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2S,3R,4R,5S,6R)-3-hydroxy-2-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-[[(1R,3R,4R,5R,8S)-4-hydroxy-3-[(2R,3R,4R,5R)-2,5,6-trihydroxy-1-oxo-4-sulfonatooxyhexan-3-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)-5-sulfonatooxyoxan-4-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-2-(hydroxymethyl)oxan-3-yl] sulfate |
| InChIKey | OHYXSPYSIRUMQU-KQOQITQLSA-F |
| SMILES | C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)[O-])CO)O[C@H]4[C@H]5CO[C@@H]4[C@H]([C@H](O5)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OS(=O)(=O)[O-])CO)O[C@H]7[C@H]8CO[C@@H]7[C@H]([C@H](O8)O[C@@H]9[C@H]([C@@H](O[C@@H]([C@@H]9OS(=O)(=O)[O-])CO)O[C@H]1[C@H]2CO[C@@H]1[C@H]([C@H](O2)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)[O-])CO)O[C@H]1[C@H]2CO[C@@H]1[C@H]([C@H](O2)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)[O-])CO)O[C@H]1[C@H]2CO[C@@H]1[C@H]([C@H](O2)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)[O-])CO)O[C@H]1[C@H]2CO[C@@H]1[C@H]([C@H](O2)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)[O-])CO)O[C@H]1[C@H]2CO[C@@H]1[C@H]([C@H](O2)O[C@H]([C@H](C=O)O)[C@@H]([C@@H](CO)O)OS(=O)(=O)[O-])O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
Computed by PubChem (NCBI)