chempirical

Hydrogen phosphotungstate hydrate (H3PW12O40.xH2O)

H5O41PW12CAS 12501-23-42898.05 g/mol

Open in Covalent MOL file
H2OOPHOHOOHO2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−OOOOOOOOOOOOW4+W4+W4+W4+W4+W4+W4+W4+W4+W4+W4+W4+
Phosphate

Properties

Molecular formula
H5O41PW12
Molar mass
2898.05 g/mol
Exact mass
2899.2156 Da
logP
-6.06Crippen estimate
Polar surface area
1135.3 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Identifiers

CAS number
12501-23-4
SMILES
O.O=P(O)(O)O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[W+4].[W+4].[W+4].[W+4].[W+4].[W+4].[W+4].[W+4].[W+4].[W+4].[W+4].[W+4]
InChIKey
YLIQWAMEHLESGU-UHFFFAOYSA-N
InChI
InChI=1S/H3O4P.H2O.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;24*-2;12*+4

Weigh it out

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

Names and synonyms

7 names
  • Tungstate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-κO:κO:κO:κO′:κO′:κO′:κO′′:κO′′:κO′′:κO′′′:κO′′′:κO′′′]]dodeca-, hydrogen, hydrate (1:3:?)
  • Tungstate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-O:O:O:O′:O′:O′:O′′:O′′:O′′:O′′′:O′′′:O′′′]]dodeca-, trihydrogen, hydrate
  • Phosphoric acid, tungsten complex
  • Phosphotungstic acid (H3PW12O40) hydrate
  • Tungsten phosphide (W12P)
  • Tungstophosphoric acid (H3PW12O40), hydrate
  • Tungsten hydroxide oxide phosphate (W12(OH)3O33(PO4)), hydrate

Work with Hydrogen phosphotungstate hydrate (H3PW12O40.xH2O)

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

Molybdophosphoric acid (H3Mo12PO40) hydrate51429-74-475 % similar Molybdate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-κO:κO:κO:κO′:κO′:κO′:κO′′:κO′′:κO′′:κO′′′:κO′′′:κO′′′]]dodeca-, ammonium, hydrate (1:3:?)54723-94-367 % similar Piperazine, phosphate, hydrate (1:1:1)18534-18-444 % similar Phosphoric acid7664-38-243 % similar Ammonium paratungstate11120-25-540 % similar Ammonium phosphate10361-65-638 % similar Zirconium phosphate (zr(hpo4)2)13772-29-738 % similar Ammonium dihydrogen phosphate7722-76-138 % similar

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

Elsewhere

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