chempirical

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

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

Weigh it out

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

Similar compounds

Sucrosofate potassium73264-44-584 % similar Sodium sucrose octasulfate74135-10-783 % similar Sucrose octaacetate126-14-731 % similar

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

Elsewhere

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