Sucralfate

C12H54Al16O75S8CAS 54182-58-02086.67 g/mol

Open in Covalent MOL file
OSOO−OOOSOOO−OOOSOOO−OSOOO−OSOOO−OSOOO−OSOOO−OSOOO−Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+Al3+HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−HO−
AcetalEther

Properties

Molecular formula
C12H54Al16O75S8
Molar mass
2086.67 g/mol
Exact mass
2085.5223 Da
logP
-22.68Crippen estimate
Polar surface area
1759.1 Ų
H-bond donors / acceptors
0 / 75
Rotatable bonds
21
Stereocentres
R, S, R, 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
54182-58-0
SMILES
O=S(=O)([O-])OC[C@H]1O[C@@](COS(=O)(=O)[O-])(O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]
InChIKey
DTULOKYBGCTCFP-QRLOXDDHSA-A
InChI
InChI=1S/C12H22O35S8.16Al.40H2O/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);;;;;;;;;;;;;;;;;40*1H2/q;16*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-48/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1......................................................../s1

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

Names and synonyms

19 names · show all
  • Aluminum, hexadeca-μ-hydroxytetracosahydroxy[μ8-[[1,3,4,6-tetra-O-sulfo-β-D-fructofuranosyl α-D-glucopyranoside tetrakis(sulfato-κO′)](8-)]]hexadeca-
  • Hexadeca-μ-hydroxytetracosahydroxy[μ8-[[1,3,4,6-tetra-O-sulfo-β-D-fructofuranosyl α-D-glucopyranoside tetrakis(sulfato-κO′)](8-)]]hexadecaaluminum
  • Ulcerlmin
  • Antepsin
  • Ulcogant
  • Urbal
  • Carafate
  • Venter
  • Ulcar
  • Succosa
  • Sulcrate
  • Sucralfin
  • Sugast
  • Hexagastron
  • Citogel
  • Keal
  • Sucrate
  • Ulcermin
  • Sucralafate

Work with Sucralfate

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.

Sucrosofate potassium73264-44-5Salt Sodium sucrose octasulfate74135-10-7Salt

Similar compounds

Sucrose octaacetate126-14-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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