hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum

H6MoO21P3W3-6 — CID 173246107

IUPAChydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum
SMILESO=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=[W](=O)O.O=[W](=O)O.O=[W](=O)O.[Mo]
InChIInChI=1S/Mo.3H3O4P.3H2O.6O.3W/c;3*1-5(2,3)4;;;;;;;;;;;;/h;3*(H3,1,2,3,4);3*1H2;;;;;;;;;/q;;;;;;;;;;;;;3*+1/p-9
InChIKeyFENCNKFFFFQAQP-UHFFFAOYSA-E
MW1082.41 g/mol
LogP-8.97
Rot. Bonds

About hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum

hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum (PubChem CID 173246107) has the molecular formula H6MoO21P3W3-6 and a molecular weight of 1082.41 g/mol. Its IUPAC name is hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum.

Molecular Properties

Compound Namehydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum
PubChem CID173246107
Molecular FormulaH6MoO21P3W3-6
Molecular Weight1082.41 g/mol
Exact Mass1084.62
IUPAC Namehydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum
SMILESO=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=[W](=O)O.O=[W](=O)O.O=[W](=O)O.[Mo]
InChIInChI=1S/Mo.3H3O4P.3H2O.6O.3W/c;3*1-5(2,3)4;;;;;;;;;;;;/h;3*(H3,1,2,3,4);3*1H2;;;;;;;;;/q;;;;;;;;;;;;;3*+1/p-9
InChIKeyFENCNKFFFFQAQP-UHFFFAOYSA-E
XLogP-8.97
TPSA413.37 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.41
LogP ≤ 5-8.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum?
The IUPAC name of hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum (CID 173246107) is hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum.
What is the SMILES notation for hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum?
The canonical SMILES for hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum is O=P([O-])([O-])O.O=P([O-])([O-])O.O=P([O-])([O-])O.O=[W](=O)O.O=[W](=O)O.O=[W](=O)O.[Mo].
What is the InChIKey of hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum?
The InChIKey is FENCNKFFFFQAQP-UHFFFAOYSA-E. The full InChI is InChI=1S/Mo.3H3O4P.3H2O.6O.3W/c;3*1-5(2,3)4;;;;;;;;;;;;/h;3*(H3,1,2,3,4);3*1H2;;;;;;;;;/q;;;;;;;;;;;;;3*+1/p-9.
What are the key properties of hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum?
hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum has a molecular weight of 1082.41 g/mol, XLogP of -8.97, 0 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen phosphate;tris(hydroxy(dioxo)tungsten);molybdenum is sourced from PubChem (CID 173246107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).