| CAS Number | 74135-13-0 |
| Catalog Number | AG005DW5(AGN-PC-0U4JG1) |
| Chemical Name | Sucrose Octasulfate octaAmmonium Salt |
| IUPAC Name | octaazanium;trioxido-[4-(trioxido-λ4-sulfanyl)oxy-2,5-bis[(trioxido-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trioxido-λ4-sulfanyl)oxy]-6-[(trioxido-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane |
| InChI | InChI=1S/C12H38O35S8.8H3N/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;/h4-11,13-36H,1-3H2;8*1H3/p-16 |
| InChI Key | RKZGDRZGMBUVHQ-UHFFFAOYSA-A |
| MDL Number | MFCD09841286 |
| Molecular Formula | C12H46N8O35S8 |
| Molecular Weight | 1119.0462 |
| SMILES | O=S(OC[C@]1(O[C@@H]2[C@H](OS(=O)([O-])=O)[C@@H](OS(=O)([O-])=O)[C@H](OS(=O)([O-])=O)[C@H](O2)COS(=O)([O-])=O)[C@@H](OS(=O)([O-])=O)[C@H](OS(=O)([O-])=O)[C@@H](COS(=O)([O-])=O)O1)([O-])=O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+] |
| Synonyms | Sucrose Octasulfate, Ammonium Salt,
74135-13-0,
CTK8G3241,
AKOS030242919,
|
| Complexity | 1200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 9 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1117.983125g/mol |
| Formal Charge | -16 |
| Heavy Atom Count | 63 |
| Hydrogen Bond Acceptor Count | 43 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1119.1g/mol |
| Monoisotopic Mass | 1117.983125g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 671Ų |
| Undefined Atom Stereocenter Count | 9 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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