Sodium sucrose octasulfate

C₁₂H₁₄Na₈O₃₅S₈CAS 74135-10-71158.61 g/mol

Open in Covalent MOL file

Acetal Ether

Properties

Molecular formula: C₁₂H₁₄Na₈O₃₅S₈
Molar mass: 1158.61 g/mol
Exact mass: 1157.6263 Da
logP: -9.83Crippen estimate
Polar surface area: 536.5 Å²
H-bond donors / acceptors: 8 / 27
Rotatable bonds: 21
Stereocentres: R, R, S, R, R, S, R, S, Rin SMILES atom order

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+]

InChIKey

GUBILXFXLFQUAL-QRDGSJRXSA-N

InChI

InChI=1S/C12H22O35S8.8Na/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;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;/m1......../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

Sucrosofate potassium73264-44-590 % similar Sucralfate54182-58-083 % similar 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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