Basic information
- CAS
120825-96-9- Standard SMILES
O=S(=O)(O)OCC1OC2OC3C(COS(=O)(=O)O)OC(OC4C(COS(=O)(=O)O)OC(OC5C(COS(=O)(=O)O)OC(OC6C(COS(=O)(=O)O)OC(OC7C(COS(=O)(=O)O)OC(OC8C(COS(=O)(=O)O)OC(OC9C(COS(=O)(=O)O)OC(OC1C(OS(=O)(=O)O)C2OS(=O)(=O)O)C(OS(=O)(=O)O)C9OS(=O)(=O)O)C(OS(=O)(=O)O)C8OS(=O)(=O)O)C(OS(=O)(=O)O)C7OS(=O)(=O)O)C(OS(=O)(=O)O)C6OS(=O)(=O)O)C(OS(=O)(=O)O)C5OS(=O)(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)C(OS(=O)(=O)O)C3OS(=O)(=O)O- InChIKey
VHPVZEYUFNJLJZ-UHFFFAOYSA-N- Molecular formula
- C48H80O112S24
- Average molar mass
- 3,219 g/mol
- Monoisotopic mass
- 3,215.3861481
Names & identifiers
- Preferred name
- gamma-Cyclodextrin sulfate
- IUPAC
- [41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecasulfooxy-10,15,20,25,30,35,40-heptakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methyl hydrogen sulfate
- English name
- Aids003015
- Molecular formula
- C48H80O112S24
- Molecular weight
- 3218.6416
Names & synonyms
gamma-Cyclodextrin sulfate126881-41-2G-CDSgamma-CDS[41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecasulfooxy-10,15,20,25,30,35,40-heptakis(sulfooxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-5-yl]methyl hydrogen sulfate120825-96-9gamma-Cyclodextrin, hydrogen sulfate[hexadecasulfooxy-heptakis(sulfooxymethyl)[?]yl]methyl hydrogen sulfategamma-C8(D)-16(SO2OH).gamma.-CDSgamma-Cyclooctadextrin hexadecasulfate.gamma.-Cyclodextrin sulfate
Show more names
Aids003015Aids-003015PubChem ID: 453205
gamma-Cyclodextrin, hexadecakis(hydrogen sulfate)SCHEMBL29351784.g.-C8(D)-16(SO2OH).gamma.-Cyclodextrin, hydrogen sulfate.gamma.- Cyclooctadextrin hexadecasulfate.gamma.-Cyclodextrin, hexadecakis(hydrogen sulfate)2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-Hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane, .gAMMA.-cyclodextrin deriv.2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-Hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane, g-cyclodextrin deriv.
Properties
Computed structural properties
- XLogP
- -26.4
- Topological polar surface area
- 1,880 Ų
- Hydrogen bond donors
- 24
- Hydrogen bond acceptors
- 112
- Rotatable bonds
- 56
- Heavy atoms
- 184
- Formal charge
- 0
- Complexity
- 7,450
Chemistry & industry
Suppliers1 total
CARBOMER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…