Sodium sucrose octasulfate

C12H14Na8O35S8CAS 74135-10-71158.61 g/mol

Open in Covalent MOL file
O−SOOOOOOSO−OOOOSO−OOOSO−OOOSO−OOOSO−OOOSO−OOOSO−OONa+Na+Na+Na+Na+Na+Na+Na+
AcetalEther

Properties

Molecular formula
C12H14Na8O35S8
Molar mass
1158.61 g/mol
Exact mass
1157.6263 Da
logP
-9.83Crippen estimate
Polar surface area
536.5 Ų
H-bond donors / acceptors
8 / 27
Rotatable bonds
21
Stereocentres
R, R, S, R, R, S, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
74135-10-7
SMILES
[O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@]2(COS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

2 names
  • α-D-Glucopyranoside, 1,3,4,6-tetra-O-sulfo-β-D-fructofuranosyl, 2,3,4,6-tetrakis(hydrogen sulfate), sodium salt (1:8)
  • α-D-Glucopyranoside, 1,3,4,6-tetra-O-sulfo-β-D-fructofuranosyl, tetrakis(hydrogen sulfate), octasodium salt

Work with Sodium sucrose octasulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Sucralfate54182-58-0Salt Sucrosofate potassium73264-44-5Salt

Similar compounds

Sucrose octaacetate126-14-733 % similar Sodium 2-ethylhexyl sulfate126-92-132 % similar Fondaparinux114870-03-031 % similar Sodium cetyl sulfate1120-01-030 % similar Sodium tetradecyl sulfate1191-50-030 % similar Sodium octyl sulfate142-31-430 % similar Sodium decyl sulfate142-87-030 % similar Sodium dodecyl sulfate151-21-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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