chempirical

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:?)

H14Mo12N3O41PCAS 54723-94-31894.47 g/mol

Open in Covalent MOL file
NH3NH3NH3H2OOPHOHOOHMo4+Mo4+Mo4+Mo4+Mo4+Mo4+Mo4+Mo4+Mo4+Mo4+Mo4+Mo4+O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−O2−OOOOOOOOOOOO
Phosphate

Properties

Molecular formula
H14Mo12N3O41P
Molar mass
1894.47 g/mol
Exact mass
1917.7489 Da
logP
-5.57Crippen estimate
Polar surface area
1240.3 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
0

Identifiers

CAS number
54723-94-3
SMILES
N.N.N.O.O=P(O)(O)O.[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[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]
InChIKey
KGRVWEZZKDWQQA-UHFFFAOYSA-N
InChI
InChI=1S/12Mo.3H3N.H3O4P.H2O.36O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;3*1H3;(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q12*+4;;;;;;;;;;;;;;;;;;24*-2

Weigh it out

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

Names and synonyms

4 names
  • Molybdate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-O:O:O:O′:O′:O′:O′′:O′′:O′′:O′′′:O′′′:O′′′]]dodeca-, triammonium, hydrate
  • Molybdate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-κO:κO:κO:κO′:κO′:κO′:κO′′:κO′′:κO′′:κO′′′:κO′′′:κO′′′]]dodeca-, triammonium, hydrate
  • Phosphoric acid, molybdenum complex
  • Molybdophosphoric acid (H3PMo12O40), ammonium salt, hydrate

Work with 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:?)

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) hydrate51429-74-488 % similar Hydrogen phosphotungstate hydrate (H3PW12O40.xH2O)12501-23-467 % similar Ammonium phosphate10361-65-650 % similar Ammonium dihydrogen phosphate7722-76-150 % similar Diammonium phosphate7783-28-050 % similar Piperazine, phosphate, hydrate (1:1:1)18534-18-440 % similar Phosphoric acid7664-38-238 % similar Ammonium paratungstate11120-25-536 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook