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12501-23-4 | 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:?)
CAS No: 12501-23-4 Catalog No: AG000MZZ MDL No:MFCD00149915
Product Description
Catalog Number:
AG000MZZ
Chemical Name:
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:?)
CAS Number:
12501-23-4
Molecular Formula:
H77O41PW12
Molecular Weight:
2970.6405
MDL Number:
MFCD00149915
IUPAC Name:
phosphoric acid;trioxotungsten;hydrate
InChI:
InChI=1S/H3O4P.H2O.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChI Key:
AVFBYUADVDVJQL-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
EC Number:
603-020-3
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
14
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
2897.216g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
41
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
2898.053g/mol
Monoisotopic Mass:
2899.216g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
693A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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