≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)OC2C(C3C(OC2OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O3)C(C9O)O)CO)CO)CO)CO)CO)CO)CO)O |
|---|---|
| IUPAC Name | [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40S,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,42,43,44,45,46,47,48,49-tridecahydroxy-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-41-yl] 4-methylbenzenesulfonate |
| InChIKey | VGZWDYWXWGKKEE-UJPGXMRNSA-N |
| INCHI | 1S/C49H76O37S/c1-13-2-4-14(5-3-13)87(70,71)86-42-34(69)41-21(12-56)78-49(42)85-40-20(11-55)77-47(33(68)27(40)62)83-38-18(9-53)75-45(31(66)25(38)60)81-36-16(7-51)73-43(29(64)23(36)58)79-35-15(6-50)72-44(28(63)22(35)57)80-37-17(8-52)74-46(30(65)24(37)59)82-39-19(10-54)76-48(84-41)32(67)26(39)61/h2-5,15-69H,6-12H2,1H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m1/s1 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@H]3[C@H](O[C@@H]2O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O3)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O |
| PubChem CID | 11829278 |
| Molecular Weight | 1289.17 |
| Reaxy-Rn | 3534923 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oligosaccharides |
| Alternative Parents | p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Benzenesulfonyl compounds Arylsulfonic acids and derivatives Oxanes Organosulfonic acid esters Sulfonyls Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Oligosaccharide - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Oxane - Organosulfonic acid ester - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Secondary alcohol - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Primary alcohol - Alcohol - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. |
| External Descriptors | Not available |
| Specific Rotation[α] | 127.5° (C=4,DMSO) |
|---|---|
| Molecular Weight | 1289.200 g/mol |
| XLogP3 | -13.000 |
| Hydrogen Bond Donor Count | 20 |
| Hydrogen Bond Acceptor Count | 37 |
| Rotatable Bond Count | 10 |
| Exact Mass | 1288.38 Da |
| Monoisotopic Mass | 1288.38 Da |
| Topological Polar Surface Area | 586.000 Ų |
| Heavy Atom Count | 87 |
| Formal Charge | 0 |
| Complexity | 2260.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 35 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
